4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine

C15H32N2 — CID 104689484

IUPAC4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCN1CCCCCC1CC
InChIInChI=1S/C15H32N2/c1-4-11-16-14(3)10-13-17-12-8-6-7-9-15(17)5-2/h14-16H,4-13H2,1-3H3
InChIKeyFYFDIZDWGQGPMC-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

About 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine

4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine (PubChem CID 104689484) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
PubChem CID104689484
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCN1CCCCCC1CC
InChIInChI=1S/C15H32N2/c1-4-11-16-14(3)10-13-17-12-8-6-7-9-15(17)5-2/h14-16H,4-13H2,1-3H3
InChIKeyFYFDIZDWGQGPMC-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 104692007
4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63029660
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745004
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 113441769
2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
CID 63029460
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine (CID 104689484) is 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine is CCCNC(C)CCN1CCCCCC1CC.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine?
The InChIKey is FYFDIZDWGQGPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-11-16-14(3)10-13-17-12-8-6-7-9-15(17)5-2/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine?
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 104689484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).