N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine

C11H25N3 — CID 63727042

IUPACN'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CCCCNC1
InChIInChI=1S/C11H25N3/c1-13(2)8-9-14(3)11-6-4-5-7-12-10-11/h11-12H,4-10H2,1-3H3
InChIKeyFIJGUNPVHHAFIT-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds4

About N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63727042) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63727042
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CCCCNC1
InChIInChI=1S/C11H25N3/c1-13(2)8-9-14(3)11-6-4-5-7-12-10-11/h11-12H,4-10H2,1-3H3
InChIKeyFIJGUNPVHHAFIT-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
CID 170898378
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
N-methyl-N-(3-piperidin-1-ylpropyl)piperidin-3-amine;dihydrochloride
CID 154890245
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
N-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558
N-but-2-ynyl-N-methylpiperidin-3-amine
CID 63643559
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
1-[2-[methyl(pyrrolidin-3-yl)amino]ethyl]cyclopropan-1-ol
CID 84659730

Frequently Asked Questions

What is the IUPAC name of N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 63727042) is N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CCCCNC1.
What is the InChIKey of N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is FIJGUNPVHHAFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-13(2)8-9-14(3)11-6-4-5-7-12-10-11/h11-12H,4-10H2,1-3H3.
What are the key properties of N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63727042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).