N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide

C17H26N2O — CID 119667821

IUPACN-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide
SMILESCCCCC(CN)NC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-3-9-15(13-18)19-16(20)17(10-11-17)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13,18H2,1H3,(H,19,20)
InChIKeyQDLQNJZKYDRIGX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide

N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide (PubChem CID 119667821) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide
PubChem CID119667821
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide
SMILESCCCCC(CN)NC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-3-9-15(13-18)19-16(20)17(10-11-17)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13,18H2,1H3,(H,19,20)
InChIKeyQDLQNJZKYDRIGX-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
N-(1-aminohexan-2-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119667911
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
2-N-benzylhexane-1,2-diamine
CID 65385282
N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide
CID 119667243
N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
CID 63755951
N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 80696358
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119664783
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031
N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
CID 119629469

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide (CID 119667821) is N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide is CCCCC(CN)NC(=O)C1(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide?
The InChIKey is QDLQNJZKYDRIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-9-15(13-18)19-16(20)17(10-11-17)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13,18H2,1H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide?
N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide is sourced from PubChem (CID 119667821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).