1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide

C12H22N2O — CID 115734605

IUPAC1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
SMILESC=CCCCN(C)C(=O)C1(N)CCCC1
InChIInChI=1S/C12H22N2O/c1-3-4-7-10-14(2)11(15)12(13)8-5-6-9-12/h3H,1,4-10,13H2,2H3
InChIKeyVEHDGKDUPAUYKA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds5

About 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide

1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide (PubChem CID 115734605) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
PubChem CID115734605
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
SMILESC=CCCCN(C)C(=O)C1(N)CCCC1
InChIInChI=1S/C12H22N2O/c1-3-4-7-10-14(2)11(15)12(13)8-5-6-9-12/h3H,1,4-10,13H2,2H3
InChIKeyVEHDGKDUPAUYKA-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768
1-amino-N-[3-(dimethylamino)propyl]-N-methylcyclopropane-1-carboxamide
CID 65458413
methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
CID 81172837
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
1-amino-N-[2-(dimethylamino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65458412
N-methyl-N-pent-4-enylpropanamide
CID 115640317
1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
1-amino-N-(cyclopropylmethyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119297257

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide (CID 115734605) is 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide is C=CCCCN(C)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide?
The InChIKey is VEHDGKDUPAUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-7-10-14(2)11(15)12(13)8-5-6-9-12/h3H,1,4-10,13H2,2H3.
What are the key properties of 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide?
1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 115734605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).