1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide

C10H19N3O2 — CID 115444211

IUPAC1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
SMILESNCC1(C(=O)NC(N)=O)CCCCCC1
InChIInChI=1S/C10H19N3O2/c11-7-10(8(14)13-9(12)15)5-3-1-2-4-6-10/h1-7,11H2,(H3,12,13,14,15)
InChIKeyJWAKZQZHFYUPHK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.48
Rot. Bonds2

About 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide

1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide (PubChem CID 115444211) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
PubChem CID115444211
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
SMILESNCC1(C(=O)NC(N)=O)CCCCCC1
InChIInChI=1S/C10H19N3O2/c11-7-10(8(14)13-9(12)15)5-3-1-2-4-6-10/h1-7,11H2,(H3,12,13,14,15)
InChIKeyJWAKZQZHFYUPHK-UHFFFAOYSA-N
XLogP0.48
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-(aminomethyl)cyclohexane-1-carbonyl chloride
CID 142629542
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide (CID 115444211) is 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide is NCC1(C(=O)NC(N)=O)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide?
The InChIKey is JWAKZQZHFYUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-7-10(8(14)13-9(12)15)5-3-1-2-4-6-10/h1-7,11H2,(H3,12,13,14,15).
What are the key properties of 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide?
1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide is sourced from PubChem (CID 115444211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).