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

C15H28N4O — CID 163302875

IUPAC2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)C(C(=O)N1CCCC1C)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C15H28N4O/c1-10(2)14(15(20)18-8-4-5-11(18)3)19(17)9-13(16)12-6-7-12/h9-12,14H,4-8,16-17H2,1-3H3/b13-9-
InChIKeyMCXYPWZJIVEZQX-LCYFTJDESA-N
MW280.42 g/mol
LogP1.41
Rot. Bonds5

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

2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 163302875) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
PubChem CID163302875
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)C(C(=O)N1CCCC1C)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C15H28N4O/c1-10(2)14(15(20)18-8-4-5-11(18)3)19(17)9-13(16)12-6-7-12/h9-12,14H,4-8,16-17H2,1-3H3/b13-9-
InChIKeyMCXYPWZJIVEZQX-LCYFTJDESA-N
XLogP1.41
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.41
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'}

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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
(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
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
1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163303003

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (CID 163302875) is 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is CC(C)C(C(=O)N1CCCC1C)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is MCXYPWZJIVEZQX-LCYFTJDESA-N. The full InChI is InChI=1S/C15H28N4O/c1-10(2)14(15(20)18-8-4-5-11(18)3)19(17)9-13(16)12-6-7-12/h9-12,14H,4-8,16-17H2,1-3H3/b13-9-.
What are the key properties of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 280.42 g/mol, XLogP of 1.41, 5 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-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 163302875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).