N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine

C19H26N2 — CID 114333029

IUPACN'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
SMILESNCCCN(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c20-15-9-17-21(19-13-5-2-6-14-19)16-8-7-12-18-10-3-1-4-11-18/h1-6,10-11,13-14H,7-9,12,15-17,20H2
InChIKeyOOCCCJOWQCBNDT-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.86
Rot. Bonds9

About N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine

N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine (PubChem CID 114333029) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
PubChem CID114333029
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
SMILESNCCCN(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c20-15-9-17-21(19-13-5-2-6-14-19)16-8-7-12-18-10-3-1-4-11-18/h1-6,10-11,13-14H,7-9,12,15-17,20H2
InChIKeyOOCCCJOWQCBNDT-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(5-phenylpentyl)aniline
CID 173233703
N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
4-phenylbutan-1-amine;hydrochloride
CID 44630065
13-phenyltridecan-1-amine
CID 19801439
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
benzene;3-phenylpropan-1-amine
CID 174865683
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine?
The IUPAC name of N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine (CID 114333029) is N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine is NCCCN(CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine?
The InChIKey is OOCCCJOWQCBNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c20-15-9-17-21(19-13-5-2-6-14-19)16-8-7-12-18-10-3-1-4-11-18/h1-6,10-11,13-14H,7-9,12,15-17,20H2.
What are the key properties of N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine?
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine is sourced from PubChem (CID 114333029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).