3-ethyl-N-(4-phenylbutyl)pentan-3-amine

C17H29N — CID 114333397

IUPAC3-ethyl-N-(4-phenylbutyl)pentan-3-amine
SMILESCCC(CC)(CC)NCCCCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-17(5-2,6-3)18-15-11-10-14-16-12-8-7-9-13-16/h7-9,12-13,18H,4-6,10-11,14-15H2,1-3H3
InChIKeyPSQMSRKWIBGCMB-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.57
Rot. Bonds9

About 3-ethyl-N-(4-phenylbutyl)pentan-3-amine

3-ethyl-N-(4-phenylbutyl)pentan-3-amine (PubChem CID 114333397) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-ethyl-N-(4-phenylbutyl)pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(4-phenylbutyl)pentan-3-amine
PubChem CID114333397
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-ethyl-N-(4-phenylbutyl)pentan-3-amine
SMILESCCC(CC)(CC)NCCCCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-17(5-2,6-3)18-15-11-10-14-16-12-8-7-9-13-16/h7-9,12-13,18H,4-6,10-11,14-15H2,1-3H3
InChIKeyPSQMSRKWIBGCMB-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 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 ≤ 54.57
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-(3-phenylpropyl)pentan-3-amine
CID 65039319
2-ethyl-2-(3-phenylpropylamino)butan-1-ol
CID 55081812
1,3-dichloro-2-methyl-N-(4-phenylbutyl)propan-2-amine
CID 114334733
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-methyl-9-phenylnonan-1-amine
CID 10609702
4-phenylbutylbenzene
CID 141301927
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
5-phenyl-N-propylpentan-1-amine
CID 62530615
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-phenylbutyl)pentan-3-amine?
The IUPAC name of 3-ethyl-N-(4-phenylbutyl)pentan-3-amine (CID 114333397) is 3-ethyl-N-(4-phenylbutyl)pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-(4-phenylbutyl)pentan-3-amine?
The canonical SMILES for 3-ethyl-N-(4-phenylbutyl)pentan-3-amine is CCC(CC)(CC)NCCCCc1ccccc1.
What is the InChIKey of 3-ethyl-N-(4-phenylbutyl)pentan-3-amine?
The InChIKey is PSQMSRKWIBGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-17(5-2,6-3)18-15-11-10-14-16-12-8-7-9-13-16/h7-9,12-13,18H,4-6,10-11,14-15H2,1-3H3.
What are the key properties of 3-ethyl-N-(4-phenylbutyl)pentan-3-amine?
3-ethyl-N-(4-phenylbutyl)pentan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-phenylbutyl)pentan-3-amine is sourced from PubChem (CID 114333397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).