N'-(4-phenylbutyl)-N-propylethane-1,2-diamine

C15H26N2 — CID 113405226

IUPACN'-(4-phenylbutyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNCCCCc1ccccc1
InChIInChI=1S/C15H26N2/c1-2-11-16-13-14-17-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3
InChIKeyOZFFIZNMLLQHHX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.60
Rot. Bonds10

About N'-(4-phenylbutyl)-N-propylethane-1,2-diamine

N'-(4-phenylbutyl)-N-propylethane-1,2-diamine (PubChem CID 113405226) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-(4-phenylbutyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-phenylbutyl)-N-propylethane-1,2-diamine
PubChem CID113405226
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-(4-phenylbutyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNCCCCc1ccccc1
InChIInChI=1S/C15H26N2/c1-2-11-16-13-14-17-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3
InChIKeyOZFFIZNMLLQHHX-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-N-propylpentan-1-amine
CID 62530615
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylbutyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(4-phenylbutyl)-N-propylethane-1,2-diamine (CID 113405226) is N'-(4-phenylbutyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(4-phenylbutyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(4-phenylbutyl)-N-propylethane-1,2-diamine is CCCNCCNCCCCc1ccccc1.
What is the InChIKey of N'-(4-phenylbutyl)-N-propylethane-1,2-diamine?
The InChIKey is OZFFIZNMLLQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-11-16-13-14-17-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3.
What are the key properties of N'-(4-phenylbutyl)-N-propylethane-1,2-diamine?
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylbutyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 113405226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).