N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride

C13H27ClN4O2 — CID 119565556

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-2-3-6-10(16-12(15)19)11(18)17-13(9-14)7-4-5-8-13;/h10H,2-9,14H2,1H3,(H,17,18)(H3,15,16,19);1H
InChIKeyRUDPPLAOUZPRPA-UHFFFAOYSA-N
MW306.84 g/mol
LogP1.02
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride (PubChem CID 119565556) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
PubChem CID119565556
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-2-3-6-10(16-12(15)19)11(18)17-13(9-14)7-4-5-8-13;/h10H,2-9,14H2,1H3,(H,17,18)(H3,15,16,19);1H
InChIKeyRUDPPLAOUZPRPA-UHFFFAOYSA-N
XLogP1.02
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
CID 62520222
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
methyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]hexanoate
CID 103249119
2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
CID 119619625
N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
CID 119475285
N-[1-[[1-(aminomethyl)cyclopentyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119567720
2-[1-(2-aminohexanoylamino)cyclopentyl]acetic acid
CID 64702103
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride (CID 119565556) is N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride?
The InChIKey is RUDPPLAOUZPRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-2-3-6-10(16-12(15)19)11(18)17-13(9-14)7-4-5-8-13;/h10H,2-9,14H2,1H3,(H,17,18)(H3,15,16,19);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride is sourced from PubChem (CID 119565556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).