N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride

C15H33Cl2N3O — CID 119569404

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-4-15(5-2,12-16)17-14(19)13(3)18-10-8-6-7-9-11-18;;/h13H,4-12,16H2,1-3H3,(H,17,19);2*1H
InChIKeyIVTRYCZWHCHVDN-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.73
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride (PubChem CID 119569404) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride
PubChem CID119569404
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-4-15(5-2,12-16)17-14(19)13(3)18-10-8-6-7-9-11-18;;/h13H,4-12,16H2,1-3H3,(H,17,19);2*1H
InChIKeyIVTRYCZWHCHVDN-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119640591
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
CID 119909909
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119570259
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
CID 120607591

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride (CID 119569404) is N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride is CCC(CC)(CN)NC(=O)C(C)N1CCCCCC1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride?
The InChIKey is IVTRYCZWHCHVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-4-15(5-2,12-16)17-14(19)13(3)18-10-8-6-7-9-11-18;;/h13H,4-12,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.73, 6 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]-2-(azepan-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119569404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).