N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine

C14H22N2 — CID 173045613

IUPACN'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
SMILESC=CC(c1ccccc1)N(CCC)CCN
InChIInChI=1S/C14H22N2/c1-3-11-16(12-10-15)14(4-2)13-8-6-5-7-9-13/h4-9,14H,2-3,10-12,15H2,1H3
InChIKeyHSTOBQTUNGKFFX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.58
Rot. Bonds7

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

N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine (PubChem CID 173045613) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
PubChem CID173045613
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
SMILESC=CC(c1ccccc1)N(CCC)CCN
InChIInChI=1S/C14H22N2/c1-3-11-16(12-10-15)14(4-2)13-8-6-5-7-9-13/h4-9,14H,2-3,10-12,15H2,1H3
InChIKeyHSTOBQTUNGKFFX-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine
CID 67917354
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine (CID 173045613) is N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine is C=CC(c1ccccc1)N(CCC)CCN.
What is the InChIKey of N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
The InChIKey is HSTOBQTUNGKFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11-16(12-10-15)14(4-2)13-8-6-5-7-9-13/h4-9,14H,2-3,10-12,15H2,1H3.
What are the key properties of N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 173045613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).