N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride

C15H30ClN3O2 — CID 119609925

IUPACN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)CCC(=O)NCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(2)7-8-14(19)17-10-15(20)18-13-6-4-3-5-12(13)9-16;/h11-13H,3-10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyCGJVGKJUBWUBAR-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.59
Rot. Bonds7

About N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride

N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119609925) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
PubChem CID119609925
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC NameN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)CCC(=O)NCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(2)7-8-14(19)17-10-15(20)18-13-6-4-3-5-12(13)9-16;/h11-13H,3-10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyCGJVGKJUBWUBAR-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
CID 114178743
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119604609
N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide
CID 154445479
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride (CID 119609925) is N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride is CC(C)CCC(=O)NCC(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is CGJVGKJUBWUBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-11(2)7-8-14(19)17-10-15(20)18-13-6-4-3-5-12(13)9-16;/h11-13H,3-10,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119609925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).