N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride

C12H27ClN2O2 — CID 119570681

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCCOC.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-4-12(5-2,10-13)14-11(15)8-6-7-9-16-3;/h4-10,13H2,1-3H3,(H,14,15);1H
InChIKeyADUZKJZITYBUSR-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.86
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride (PubChem CID 119570681) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
PubChem CID119570681
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCCOC.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-4-12(5-2,10-13)14-11(15)8-6-7-9-16-3;/h4-10,13H2,1-3H3,(H,14,15);1H
InChIKeyADUZKJZITYBUSR-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxypropanamide;hydrochloride
CID 119569284
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide
CID 119568658
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336
methyl 3-(4-aminobutanoylamino)-3-ethylpentanoate;hydrochloride
CID 119344222
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride (CID 119570681) is N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCCCOC.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride?
The InChIKey is ADUZKJZITYBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-4-12(5-2,10-13)14-11(15)8-6-7-9-16-3;/h4-10,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride is sourced from PubChem (CID 119570681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).