N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride

C14H31ClN2O — CID 120607591

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)NC(CC)(CC)CN.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-5-9-10-12(6-2)13(17)16-14(7-3,8-4)11-15;/h12H,5-11,15H2,1-4H3,(H,16,17);1H
InChIKeyRQZKYTIDGXHIFD-UHFFFAOYSA-N
MW278.87 g/mol
LogP3.26
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride (PubChem CID 120607591) has the molecular formula C14H31ClN2O and a molecular weight of 278.87 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
PubChem CID120607591
Molecular FormulaC14H31ClN2O
Molecular Weight278.87 g/mol
Exact Mass278.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)NC(CC)(CC)CN.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-5-9-10-12(6-2)13(17)16-14(7-3,8-4)11-15;/h12H,5-11,15H2,1-4H3,(H,16,17);1H
InChIKeyRQZKYTIDGXHIFD-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
CID 120607605
(2S)-2-ethylhexanehydrazide
CID 40549650
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
CID 114315218
2-ethyl-N-pentylhexanamide
CID 5123867
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
N-cyclopentyl-2-ethylhexanamide
CID 4146053
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103970224

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride (CID 120607591) is N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride is CCCCC(CC)C(=O)NC(CC)(CC)CN.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride?
The InChIKey is RQZKYTIDGXHIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.ClH/c1-5-9-10-12(6-2)13(17)16-14(7-3,8-4)11-15;/h12H,5-11,15H2,1-4H3,(H,16,17);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride has a molecular weight of 278.87 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride is sourced from PubChem (CID 120607591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).