N-ethyl-N-(4-phenylbutyl)heptan-1-amine

C19H33N — CID 12951762

IUPACN-ethyl-N-(4-phenylbutyl)heptan-1-amine
SMILESCCCCCCCN(CC)CCCCc1ccccc1
InChIInChI=1S/C19H33N/c1-3-5-6-7-12-17-20(4-2)18-13-11-16-19-14-9-8-10-15-19/h8-10,14-15H,3-7,11-13,16-18H2,1-2H3
InChIKeyHDFVTYIXUIHWKL-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.30
Rot. Bonds12

About N-ethyl-N-(4-phenylbutyl)heptan-1-amine

N-ethyl-N-(4-phenylbutyl)heptan-1-amine (PubChem CID 12951762) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-ethyl-N-(4-phenylbutyl)heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-phenylbutyl)heptan-1-amine
PubChem CID12951762
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-ethyl-N-(4-phenylbutyl)heptan-1-amine
SMILESCCCCCCCN(CC)CCCCc1ccccc1
InChIInChI=1S/C19H33N/c1-3-5-6-7-12-17-20(4-2)18-13-11-16-19-14-9-8-10-15-19/h8-10,14-15H,3-7,11-13,16-18H2,1-2H3
InChIKeyHDFVTYIXUIHWKL-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-phenylbutyl)heptan-1-amine?
The IUPAC name of N-ethyl-N-(4-phenylbutyl)heptan-1-amine (CID 12951762) is N-ethyl-N-(4-phenylbutyl)heptan-1-amine.
What is the SMILES notation for N-ethyl-N-(4-phenylbutyl)heptan-1-amine?
The canonical SMILES for N-ethyl-N-(4-phenylbutyl)heptan-1-amine is CCCCCCCN(CC)CCCCc1ccccc1.
What is the InChIKey of N-ethyl-N-(4-phenylbutyl)heptan-1-amine?
The InChIKey is HDFVTYIXUIHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-6-7-12-17-20(4-2)18-13-11-16-19-14-9-8-10-15-19/h8-10,14-15H,3-7,11-13,16-18H2,1-2H3.
What are the key properties of N-ethyl-N-(4-phenylbutyl)heptan-1-amine?
N-ethyl-N-(4-phenylbutyl)heptan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.30, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-phenylbutyl)heptan-1-amine is sourced from PubChem (CID 12951762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).