2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine

C15H32N2 — CID 123420598

IUPAC2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine
SMILESCCC1CCN(CCN(C)C)C(C)C(C)(C)C1
InChIInChI=1S/C15H32N2/c1-7-14-8-9-17(11-10-16(5)6)13(2)15(3,4)12-14/h13-14H,7-12H2,1-6H3
InChIKeyVEXUMJXFTYXVMX-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.08
Rot. Bonds4

About 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine

2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine (PubChem CID 123420598) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine
PubChem CID123420598
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine
SMILESCCC1CCN(CCN(C)C)C(C)C(C)(C)C1
InChIInChI=1S/C15H32N2/c1-7-14-8-9-17(11-10-16(5)6)13(2)15(3,4)12-14/h13-14H,7-12H2,1-6H3
InChIKeyVEXUMJXFTYXVMX-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788257
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
5-ethyl-1,3,3-trimethylazepane
CID 155199677
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020477
3-(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935005
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79406875

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine (CID 123420598) is 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine is CCC1CCN(CCN(C)C)C(C)C(C)(C)C1.
What is the InChIKey of 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine?
The InChIKey is VEXUMJXFTYXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-14-8-9-17(11-10-16(5)6)13(2)15(3,4)12-14/h13-14H,7-12H2,1-6H3.
What are the key properties of 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine?
2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine has a molecular weight of 240.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 123420598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).