5-ethyl-1-phenylnonan-3-amine

C17H29N — CID 63417135

IUPAC5-ethyl-1-phenylnonan-3-amine
SMILESCCCCC(CC)CC(N)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-3-5-9-15(4-2)14-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14,18H2,1-2H3
InChIKeyKKUHOUOTYRGHCD-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.55
Rot. Bonds9

About 5-ethyl-1-phenylnonan-3-amine

5-ethyl-1-phenylnonan-3-amine (PubChem CID 63417135) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-ethyl-1-phenylnonan-3-amine.

Molecular Properties

Compound Name5-ethyl-1-phenylnonan-3-amine
PubChem CID63417135
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-ethyl-1-phenylnonan-3-amine
SMILESCCCCC(CC)CC(N)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-3-5-9-15(4-2)14-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14,18H2,1-2H3
InChIKeyKKUHOUOTYRGHCD-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-1-phenylnonan-3-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

6-ethyl-1-phenyldecan-4-amine
CID 105102887
3-ethylundecylbenzene
CID 101046196
1-phenyloctan-4-amine
CID 79413314
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527
(3R)-1-phenylhexan-3-amine
CID 66612996
3-ethyl-6-methyl-1-phenyldecan-5-ol
CID 173252145
4-ethyl-1-(3-methylphenyl)octan-2-amine
CID 63414791
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
CID 6425935
1-phenylheptan-3-ol
CID 10420110
6-benzyldecylbenzene
CID 54156815
benzyl-(2,4-diethyloctyl)-dimethylazanium chloride
CID 139299496

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenylnonan-3-amine?
The IUPAC name of 5-ethyl-1-phenylnonan-3-amine (CID 63417135) is 5-ethyl-1-phenylnonan-3-amine.
What is the SMILES notation for 5-ethyl-1-phenylnonan-3-amine?
The canonical SMILES for 5-ethyl-1-phenylnonan-3-amine is CCCCC(CC)CC(N)CCc1ccccc1.
What is the InChIKey of 5-ethyl-1-phenylnonan-3-amine?
The InChIKey is KKUHOUOTYRGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-5-9-15(4-2)14-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,3-5,9,12-14,18H2,1-2H3.
What are the key properties of 5-ethyl-1-phenylnonan-3-amine?
5-ethyl-1-phenylnonan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenylnonan-3-amine is sourced from PubChem (CID 63417135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).