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

C15H31ClN2O — CID 119570689

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CC1CCCC(C)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-15(5-2,11-16)17-14(18)10-13-8-6-7-12(3)9-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyVSCCQWLETNFOIB-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.26
Rot. Bonds6

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

N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 119570689) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride
PubChem CID119570689
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CC1CCCC(C)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-15(5-2,11-16)17-14(18)10-13-8-6-7-12(3)9-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyVSCCQWLETNFOIB-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119574482
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565
N-[2-(ethylamino)ethyl]-2-(3-methylcyclohexyl)acetamide
CID 119507538
N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
CID 122080556
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
CID 119606072
3-ethoxy-2,2-dimethyl-1-[[2-(3-methylcyclohexyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120700400
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
CID 107180771
N-[(1-hydroxycyclobutyl)methyl]-2-(3-methylcyclohexyl)acetamide
CID 111463205
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride (CID 119570689) is N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride is CCC(CC)(CN)NC(=O)CC1CCCC(C)C1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is VSCCQWLETNFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-4-15(5-2,11-16)17-14(18)10-13-8-6-7-12(3)9-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.26, 6 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-(3-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119570689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).