N-ethyl-17-phenylheptadecan-1-amine

C25H45N — CID 139804977

IUPACN-ethyl-17-phenylheptadecan-1-amine
SMILESCCNCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C25H45N/c1-2-26-24-20-15-13-11-9-7-5-3-4-6-8-10-12-14-17-21-25-22-18-16-19-23-25/h16,18-19,22-23,26H,2-15,17,20-21,24H2,1H3
InChIKeyDRZCASCGPCUHGZ-UHFFFAOYSA-N
MW359.64 g/mol
LogP7.69
Rot. Bonds19

About N-ethyl-17-phenylheptadecan-1-amine

N-ethyl-17-phenylheptadecan-1-amine (PubChem CID 139804977) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is N-ethyl-17-phenylheptadecan-1-amine.

Molecular Properties

Compound NameN-ethyl-17-phenylheptadecan-1-amine
PubChem CID139804977
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC NameN-ethyl-17-phenylheptadecan-1-amine
SMILESCCNCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C25H45N/c1-2-26-24-20-15-13-11-9-7-5-3-4-6-8-10-12-14-17-21-25-22-18-16-19-23-25/h16,18-19,22-23,26H,2-15,17,20-21,24H2,1H3
InChIKeyDRZCASCGPCUHGZ-UHFFFAOYSA-N
XLogP7.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.69
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

N-(4-phenylbutyl)hexan-1-amine
CID 54151992
5-phenyl-N-propylpentan-1-amine
CID 62530615
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-methyl-9-phenylnonan-1-amine
CID 10609702
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-17-phenylheptadecan-1-amine?
The IUPAC name of N-ethyl-17-phenylheptadecan-1-amine (CID 139804977) is N-ethyl-17-phenylheptadecan-1-amine.
What is the SMILES notation for N-ethyl-17-phenylheptadecan-1-amine?
The canonical SMILES for N-ethyl-17-phenylheptadecan-1-amine is CCNCCCCCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of N-ethyl-17-phenylheptadecan-1-amine?
The InChIKey is DRZCASCGPCUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N/c1-2-26-24-20-15-13-11-9-7-5-3-4-6-8-10-12-14-17-21-25-22-18-16-19-23-25/h16,18-19,22-23,26H,2-15,17,20-21,24H2,1H3.
What are the key properties of N-ethyl-17-phenylheptadecan-1-amine?
N-ethyl-17-phenylheptadecan-1-amine has a molecular weight of 359.64 g/mol, XLogP of 7.69, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-17-phenylheptadecan-1-amine is sourced from PubChem (CID 139804977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).