2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine

C16H34N2 — CID 55248237

IUPAC2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCCC(C)CC1
InChIInChI=1S/C16H34N2/c1-5-14(3)12-16(6-2,13-17)18-10-7-8-15(4)9-11-18/h14-15H,5-13,17H2,1-4H3
InChIKeyDGCYELGCCARAQP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds6

About 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine

2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine (PubChem CID 55248237) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine
PubChem CID55248237
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCCC(C)CC1
InChIInChI=1S/C16H34N2/c1-5-14(3)12-16(6-2,13-17)18-10-7-8-15(4)9-11-18/h14-15H,5-13,17H2,1-4H3
InChIKeyDGCYELGCCARAQP-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
CID 62368087
4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine
CID 113220174
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62886088
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62885740
2-ethyl-4-methyl-2-(3-methylmorpholin-4-yl)hexan-1-amine
CID 43541962
2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 79008084
2-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 24689599
2-(2,5-dimethylmorpholin-4-yl)-2-ethyl-4-methylhexan-1-amine
CID 43544414
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine
CID 83011958
2-(4-methylazepan-1-yl)propan-2-ol
CID 167215474
2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 79408333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine (CID 55248237) is 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine is CCC(C)CC(CC)(CN)N1CCCC(C)CC1.
What is the InChIKey of 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine?
The InChIKey is DGCYELGCCARAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-14(3)12-16(6-2,13-17)18-10-7-8-15(4)9-11-18/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine?
2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine is sourced from PubChem (CID 55248237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).