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

C12H18N2 — CID 76940305

IUPACN'-(3-phenylprop-2-enyl)propane-1,3-diamine
SMILESNCCCNCC=Cc1ccccc1
InChIInChI=1S/C12H18N2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11,13H2
InChIKeyLDQHVFFROZFSAP-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.64
Rot. Bonds6

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

N'-(3-phenylprop-2-enyl)propane-1,3-diamine (PubChem CID 76940305) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(3-phenylprop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-phenylprop-2-enyl)propane-1,3-diamine
PubChem CID76940305
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(3-phenylprop-2-enyl)propane-1,3-diamine
SMILESNCCCNCC=Cc1ccccc1
InChIInChI=1S/C12H18N2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11,13H2
InChIKeyLDQHVFFROZFSAP-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.64
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)pentane-1,5-diamine
CID 175973371
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
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
3-[2-[[(E)-3-phenylprop-2-enyl]amino]ethylsulfanyl]propan-1-ol
CID 103649041
2-[[2-(3-phenylprop-2-enylamino)ethylamino]methyl]phenol
CID 70598852

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylprop-2-enyl)propane-1,3-diamine?
The IUPAC name of N'-(3-phenylprop-2-enyl)propane-1,3-diamine (CID 76940305) is N'-(3-phenylprop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-phenylprop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-phenylprop-2-enyl)propane-1,3-diamine is NCCCNCC=Cc1ccccc1.
What is the InChIKey of N'-(3-phenylprop-2-enyl)propane-1,3-diamine?
The InChIKey is LDQHVFFROZFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11,13H2.
What are the key properties of N'-(3-phenylprop-2-enyl)propane-1,3-diamine?
N'-(3-phenylprop-2-enyl)propane-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 1.64, 6 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)propane-1,3-diamine is sourced from PubChem (CID 76940305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).