1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide

C16H30N2O2 — CID 106135703

IUPAC1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCC(O)CC2)CCCCCC1
InChIInChI=1S/C16H30N2O2/c17-12-16(9-3-1-2-4-10-16)15(20)18-11-13-5-7-14(19)8-6-13/h13-14,19H,1-12,17H2,(H,18,20)
InChIKeyGESBLODRURCVEC-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.95
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide

1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide (PubChem CID 106135703) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
PubChem CID106135703
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCC(O)CC2)CCCCCC1
InChIInChI=1S/C16H30N2O2/c17-12-16(9-3-1-2-4-10-16)15(20)18-11-13-5-7-14(19)8-6-13/h13-14,19H,1-12,17H2,(H,18,20)
InChIKeyGESBLODRURCVEC-UHFFFAOYSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963862
1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 106135620
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
CID 113309488
1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755575

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide (CID 106135703) is 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide is NCC1(C(=O)NCC2CCC(O)CC2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide?
The InChIKey is GESBLODRURCVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c17-12-16(9-3-1-2-4-10-16)15(20)18-11-13-5-7-14(19)8-6-13/h13-14,19H,1-12,17H2,(H,18,20).
What are the key properties of 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide?
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 106135703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).