2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride

C12H25ClN2O — CID 119307771

IUPAC2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCC(C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-5-11(13)12(15)14-8-4-6-10(2)7-9-14;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyHCFRMSPMFORHBY-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride

2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride (PubChem CID 119307771) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
PubChem CID119307771
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCC(C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-5-11(13)12(15)14-8-4-6-10(2)7-9-14;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyHCFRMSPMFORHBY-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride (CID 119307771) is 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCCC(C)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride?
The InChIKey is HCFRMSPMFORHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-5-11(13)12(15)14-8-4-6-10(2)7-9-14;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride?
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119307771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).