1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine

C13H28N2O — CID 65078446

IUPAC1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine
SMILESCCC(COC)NC1CCCN(CC)CC1
InChIInChI=1S/C13H28N2O/c1-4-12(11-16-3)14-13-7-6-9-15(5-2)10-8-13/h12-14H,4-11H2,1-3H3
InChIKeyAPPCHYGJPZZHHN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds6

About 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine

1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine (PubChem CID 65078446) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine
PubChem CID65078446
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine
SMILESCCC(COC)NC1CCCN(CC)CC1
InChIInChI=1S/C13H28N2O/c1-4-12(11-16-3)14-13-7-6-9-15(5-2)10-8-13/h12-14H,4-11H2,1-3H3
InChIKeyAPPCHYGJPZZHHN-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83206989
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891994
1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
3-N-(1-methoxybutan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726742
1-ethyl-N-heptan-3-ylpiperidin-3-amine
CID 63946324
1-ethyl-N-[1-(oxolan-2-yl)ethyl]azepan-4-amine
CID 65074185
1-ethyl-N-methylazepan-4-amine;methyl formate
CID 170601459

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine (CID 65078446) is 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine is CCC(COC)NC1CCCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine?
The InChIKey is APPCHYGJPZZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(11-16-3)14-13-7-6-9-15(5-2)10-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine?
1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine is sourced from PubChem (CID 65078446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).