1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide

C17H32N2O2 — CID 103966787

IUPAC1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCC2(CO)CCCCC2)CCCCCC1
InChIInChI=1S/C17H32N2O2/c18-12-17(10-6-1-2-7-11-17)15(21)19-13-16(14-20)8-4-3-5-9-16/h20H,1-14,18H2,(H,19,21)
InChIKeySROSFCKDPFYKIL-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.34
Rot. Bonds5

About 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide

1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide (PubChem CID 103966787) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
PubChem CID103966787
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCC2(CO)CCCCC2)CCCCCC1
InChIInChI=1S/C17H32N2O2/c18-12-17(10-6-1-2-7-11-17)15(21)19-13-16(14-20)8-4-3-5-9-16/h20H,1-14,18H2,(H,19,21)
InChIKeySROSFCKDPFYKIL-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 105415997
1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
CID 113309913
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide (CID 103966787) is 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide is NCC1(C(=O)NCC2(CO)CCCCC2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide?
The InChIKey is SROSFCKDPFYKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c18-12-17(10-6-1-2-7-11-17)15(21)19-13-16(14-20)8-4-3-5-9-16/h20H,1-14,18H2,(H,19,21).
What are the key properties of 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide?
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 103966787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).