2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide

C18H35N5O2 — CID 163302995

IUPAC2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
SMILESCC(C)C(C(=O)N1CCCC1C)N(N)/C=C(\N)C1CCC1.CNC=O
InChIInChI=1S/C16H30N4O.C2H5NO/c1-11(2)15(16(21)19-9-5-6-12(19)3)20(18)10-14(17)13-7-4-8-13;1-3-2-4/h10-13,15H,4-9,17-18H2,1-3H3;2H,1H3,(H,3,4)/b14-10-;
InChIKeySSIMGRQXQOQPDW-DZOOLQPHSA-N
MW353.51 g/mol
LogP1.16
Rot. Bonds6

About 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide

2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide (PubChem CID 163302995) has the molecular formula C18H35N5O2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
PubChem CID163302995
Molecular FormulaC18H35N5O2
Molecular Weight353.51 g/mol
Exact Mass353.28
IUPAC Name2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
SMILESCC(C)C(C(=O)N1CCCC1C)N(N)/C=C(\N)C1CCC1.CNC=O
InChIInChI=1S/C16H30N4O.C2H5NO/c1-11(2)15(16(21)19-9-5-6-12(19)3)20(18)10-14(17)13-7-4-8-13;1-3-2-4/h10-13,15H,4-9,17-18H2,1-3H3;2H,1H3,(H,3,4)/b14-10-;
InChIKeySSIMGRQXQOQPDW-DZOOLQPHSA-N
XLogP1.16
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
CID 163303010
1-[(Z)-6-amino-7-[amino(4-formamidobutyl)amino]hept-6-enoyl]-N-(1-cyclohexylethyl)pyrrolidine-2-carboxamide
CID 139565568
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163300517
(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide
CID 163302845
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methyl formate
CID 163302874
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163302875
1-[2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302890
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-propan-2-ylformamide
CID 163302899
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302919
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 163302930
1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302944
2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163302996

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide?
The IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide (CID 163302995) is 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide?
The canonical SMILES for 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide is CC(C)C(C(=O)N1CCCC1C)N(N)/C=C(\N)C1CCC1.CNC=O.
What is the InChIKey of 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide?
The InChIKey is SSIMGRQXQOQPDW-DZOOLQPHSA-N. The full InChI is InChI=1S/C16H30N4O.C2H5NO/c1-11(2)15(16(21)19-9-5-6-12(19)3)20(18)10-14(17)13-7-4-8-13;1-3-2-4/h10-13,15H,4-9,17-18H2,1-3H3;2H,1H3,(H,3,4)/b14-10-;.
What are the key properties of 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide?
2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide has a molecular weight of 353.51 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide is sourced from PubChem (CID 163302995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).