N'-(3-phenylprop-2-enyl)pentane-1,5-diamine

C14H22N2 — CID 175973371

IUPACN'-(3-phenylprop-2-enyl)pentane-1,5-diamine
SMILESNCCCCCNCC=Cc1ccccc1
InChIInChI=1S/C14H22N2/c15-11-5-2-6-12-16-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,16H,2,5-6,11-13,15H2
InChIKeyDFGIZOXPDFBVIF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.42
Rot. Bonds8

About N'-(3-phenylprop-2-enyl)pentane-1,5-diamine

N'-(3-phenylprop-2-enyl)pentane-1,5-diamine (PubChem CID 175973371) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(3-phenylprop-2-enyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-phenylprop-2-enyl)pentane-1,5-diamine
PubChem CID175973371
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(3-phenylprop-2-enyl)pentane-1,5-diamine
SMILESNCCCCCNCC=Cc1ccccc1
InChIInChI=1S/C14H22N2/c15-11-5-2-6-12-16-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,16H,2,5-6,11-13,15H2
InChIKeyDFGIZOXPDFBVIF-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.42
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

N'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
N',N'-diethyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 17214982
N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 76950960
N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
CID 103638583
N',N'-dibutyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine;dihydrochloride
CID 17214509
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine
CID 139723729
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylprop-2-enyl)pentane-1,5-diamine?
The IUPAC name of N'-(3-phenylprop-2-enyl)pentane-1,5-diamine (CID 175973371) is N'-(3-phenylprop-2-enyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(3-phenylprop-2-enyl)pentane-1,5-diamine?
The canonical SMILES for N'-(3-phenylprop-2-enyl)pentane-1,5-diamine is NCCCCCNCC=Cc1ccccc1.
What is the InChIKey of N'-(3-phenylprop-2-enyl)pentane-1,5-diamine?
The InChIKey is DFGIZOXPDFBVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-11-5-2-6-12-16-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,16H,2,5-6,11-13,15H2.
What are the key properties of N'-(3-phenylprop-2-enyl)pentane-1,5-diamine?
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylprop-2-enyl)pentane-1,5-diamine is sourced from PubChem (CID 175973371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).