3-ethyl-N-(3-phenylpropyl)pentan-3-amine

C16H27N — CID 65039319

IUPAC3-ethyl-N-(3-phenylpropyl)pentan-3-amine
SMILESCCC(CC)(CC)NCCCc1ccccc1
InChIInChI=1S/C16H27N/c1-4-16(5-2,6-3)17-14-10-13-15-11-8-7-9-12-15/h7-9,11-12,17H,4-6,10,13-14H2,1-3H3
InChIKeyIDWUWKQRCUKNKM-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.18
Rot. Bonds8

About 3-ethyl-N-(3-phenylpropyl)pentan-3-amine

3-ethyl-N-(3-phenylpropyl)pentan-3-amine (PubChem CID 65039319) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-ethyl-N-(3-phenylpropyl)pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-phenylpropyl)pentan-3-amine
PubChem CID65039319
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-ethyl-N-(3-phenylpropyl)pentan-3-amine
SMILESCCC(CC)(CC)NCCCc1ccccc1
InChIInChI=1S/C16H27N/c1-4-16(5-2,6-3)17-14-10-13-15-11-8-7-9-12-15/h7-9,11-12,17H,4-6,10,13-14H2,1-3H3
InChIKeyIDWUWKQRCUKNKM-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333397
2-ethyl-2-(3-phenylpropylamino)butan-1-ol
CID 55081812
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
CID 22640922
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
1,3-dichloro-2-methyl-N-(4-phenylbutyl)propan-2-amine
CID 114334733
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
4-phenylbutylbenzene
CID 141301927
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-phenylpropyl)pentan-3-amine?
The IUPAC name of 3-ethyl-N-(3-phenylpropyl)pentan-3-amine (CID 65039319) is 3-ethyl-N-(3-phenylpropyl)pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-(3-phenylpropyl)pentan-3-amine?
The canonical SMILES for 3-ethyl-N-(3-phenylpropyl)pentan-3-amine is CCC(CC)(CC)NCCCc1ccccc1.
What is the InChIKey of 3-ethyl-N-(3-phenylpropyl)pentan-3-amine?
The InChIKey is IDWUWKQRCUKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-16(5-2,6-3)17-14-10-13-15-11-8-7-9-12-15/h7-9,11-12,17H,4-6,10,13-14H2,1-3H3.
What are the key properties of 3-ethyl-N-(3-phenylpropyl)pentan-3-amine?
3-ethyl-N-(3-phenylpropyl)pentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-phenylpropyl)pentan-3-amine is sourced from PubChem (CID 65039319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).