2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

C16H30N4O — CID 163300517

IUPAC2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCC1CCCN1C(=O)C(N(N)/C=C(\N)C1CC1)C(C)(C)C
InChIInChI=1S/C16H30N4O/c1-11-6-5-9-19(11)15(21)14(16(2,3)4)20(18)10-13(17)12-7-8-12/h10-12,14H,5-9,17-18H2,1-4H3/b13-10-
InChIKeyZCTDXYRQQSDUJH-RAXLEYEMSA-N
MW294.44 g/mol
LogP1.80
Rot. Bonds4

About 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 163300517) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
PubChem CID163300517
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCC1CCCN1C(=O)C(N(N)/C=C(\N)C1CC1)C(C)(C)C
InChIInChI=1S/C16H30N4O/c1-11-6-5-9-19(11)15(21)14(16(2,3)4)20(18)10-13(17)12-7-8-12/h10-12,14H,5-9,17-18H2,1-4H3/b13-10-
InChIKeyZCTDXYRQQSDUJH-RAXLEYEMSA-N
XLogP1.80
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one 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;formic acid
CID 163300619
(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
2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
CID 163302995
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-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (CID 163300517) is 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is CC1CCCN1C(=O)C(N(N)/C=C(\N)C1CC1)C(C)(C)C.
What is the InChIKey of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is ZCTDXYRQQSDUJH-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11-6-5-9-19(11)15(21)14(16(2,3)4)20(18)10-13(17)12-7-8-12/h10-12,14H,5-9,17-18H2,1-4H3/b13-10-.
What are the key properties of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 294.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 163300517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).