N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine

C19H34N2 — CID 58814792

IUPACN-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCCCCCCCc1ccccc1
InChIInChI=1S/C19H34N2/c1-18(2)21-17-16-20-15-11-6-4-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,20-21H,3-6,8,11-12,15-17H2,1-2H3
InChIKeyCUQSYTXTFQTIHN-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.16
Rot. Bonds13

About N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine

N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 58814792) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID58814792
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC NameN-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCCCCCCCc1ccccc1
InChIInChI=1S/C19H34N2/c1-18(2)21-17-16-20-15-11-6-4-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,20-21H,3-6,8,11-12,15-17H2,1-2H3
InChIKeyCUQSYTXTFQTIHN-UHFFFAOYSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
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'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610

Frequently Asked Questions

What is the IUPAC name of N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine (CID 58814792) is N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCCCCCCCCc1ccccc1.
What is the InChIKey of N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is CUQSYTXTFQTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-18(2)21-17-16-20-15-11-6-4-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,20-21H,3-6,8,11-12,15-17H2,1-2H3.
What are the key properties of N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine?
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 58814792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).