(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide

C17H31N5O2 — CID 163302845

IUPAC(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)=C(C)N(N)/C=C(\N)C1CC1.CNC(=O)C1CCCN1C=O
InChIInChI=1S/C10H19N3.C7H12N2O2/c1-7(2)8(3)13(12)6-10(11)9-4-5-9;1-8-7(11)6-3-2-4-9(6)5-10/h6,9H,4-5,11-12H2,1-3H3;5-6H,2-4H2,1H3,(H,8,11)/b10-6-;
InChIKeyTWGBXBQXXJISJJ-OTUCAILMSA-N
MW337.47 g/mol
LogP1.04
Rot. Bonds5

About (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide

(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 163302845) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide
PubChem CID163302845
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)=C(C)N(N)/C=C(\N)C1CC1.CNC(=O)C1CCCN1C=O
InChIInChI=1S/C10H19N3.C7H12N2O2/c1-7(2)8(3)13(12)6-10(11)9-4-5-9;1-8-7(11)6-3-2-4-9(6)5-10/h6,9H,4-5,11-12H2,1-3H3;5-6H,2-4H2,1H3,(H,8,11)/b10-6-;
InChIKeyTWGBXBQXXJISJJ-OTUCAILMSA-N
XLogP1.04
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.04
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 (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide 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-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 167071940
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163300517
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
2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
CID 163302995
1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163303003
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 163303029

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide (CID 163302845) is (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide is CC(C)=C(C)N(N)/C=C(\N)C1CC1.CNC(=O)C1CCCN1C=O.
What is the InChIKey of (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is TWGBXBQXXJISJJ-OTUCAILMSA-N. The full InChI is InChI=1S/C10H19N3.C7H12N2O2/c1-7(2)8(3)13(12)6-10(11)9-4-5-9;1-8-7(11)6-3-2-4-9(6)5-10/h6,9H,4-5,11-12H2,1-3H3;5-6H,2-4H2,1H3,(H,8,11)/b10-6-;.
What are the key properties of (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide?
(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163302845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).