N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide

C11H22N2O — CID 107000185

IUPACN-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCCCN
InChIInChI=1S/C11H22N2O/c1-11(2)8-9(11)10(14)13-7-5-3-4-6-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyRQOMDHWZGDCEII-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds6

About N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107000185) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107000185
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCCCN
InChIInChI=1S/C11H22N2O/c1-11(2)8-9(11)10(14)13-7-5-3-4-6-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyRQOMDHWZGDCEII-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476636
N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475681
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
N-[2-(2-aminoethoxy)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003381
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130628725
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781
2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethylsulfanyl]acetic acid
CID 120526564
2,2,6,6-tetramethyl-N-[6-[(2,2,6,6-tetramethylpiperidine-4-carbonyl)amino]hexyl]piperidine-4-carboxamide
CID 22323174

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107000185) is N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is RQOMDHWZGDCEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)8-9(11)10(14)13-7-5-3-4-6-12/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).