N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide

C15H28N2O — CID 119404597

IUPACN-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
SMILESNC1(CNC(=O)C2CCCCCC2)CCCCC1
InChIInChI=1S/C15H28N2O/c16-15(10-6-3-7-11-15)12-17-14(18)13-8-4-1-2-5-9-13/h13H,1-12,16H2,(H,17,18)
InChIKeyPNEYWWFCQIZUNL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.73
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide

N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide (PubChem CID 119404597) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
PubChem CID119404597
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
SMILESNC1(CNC(=O)C2CCCCCC2)CCCCC1
InChIInChI=1S/C15H28N2O/c16-15(10-6-3-7-11-15)12-17-14(18)13-8-4-1-2-5-9-13/h13H,1-12,16H2,(H,17,18)
InChIKeyPNEYWWFCQIZUNL-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963
(1-aminocyclohexyl)methylurea
CID 61298669
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119404440
N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 154578163

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide (CID 119404597) is N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide is NC1(CNC(=O)C2CCCCCC2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide?
The InChIKey is PNEYWWFCQIZUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-15(10-6-3-7-11-15)12-17-14(18)13-8-4-1-2-5-9-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide?
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide is sourced from PubChem (CID 119404597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).