N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine

C14H25N3 — CID 57144095

IUPACN'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
SMILESNCCCNCCCNCCc1ccccc1
InChIInChI=1S/C14H25N3/c15-9-4-10-16-11-5-12-17-13-8-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13,15H2
InChIKeyVBRQTPOVFGUURV-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.15
Rot. Bonds10

About N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine

N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine (PubChem CID 57144095) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
PubChem CID57144095
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
SMILESNCCCNCCCNCCc1ccccc1
InChIInChI=1S/C14H25N3/c15-9-4-10-16-11-5-12-17-13-8-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13,15H2
InChIKeyVBRQTPOVFGUURV-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
benzene;3-phenylpropan-1-amine
CID 174865683
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
N'-[2-(4-chlorophenyl)ethyl]butane-1,4-diamine
CID 83961338
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine (CID 57144095) is N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine is NCCCNCCCNCCc1ccccc1.
What is the InChIKey of N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine?
The InChIKey is VBRQTPOVFGUURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-9-4-10-16-11-5-12-17-13-8-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13,15H2.
What are the key properties of N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine?
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 57144095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).