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

C14H22N2 — CID 57094572

IUPACN'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC=Cc1ccccc1)CCN
InChIInChI=1S/C14H22N2/c1-2-11-16(13-10-15)12-6-9-14-7-4-3-5-8-14/h3-9H,2,10-13,15H2,1H3
InChIKeyYPRWTWQFELVRCP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.37
Rot. Bonds7

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

N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine (PubChem CID 57094572) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
PubChem CID57094572
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC=Cc1ccccc1)CCN
InChIInChI=1S/C14H22N2/c1-2-11-16(13-10-15)12-6-9-14-7-4-3-5-8-14/h3-9H,2,10-13,15H2,1H3
InChIKeyYPRWTWQFELVRCP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 67479240
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
CID 164887975
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine
CID 82042471
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
benzene;but-1-enylbenzene
CID 157481332
methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
CID 76931444
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
N'-prop-2-enyl-N'-propylethane-1,2-diamine
CID 54159625

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine (CID 57094572) is N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine is CCCN(CC=Cc1ccccc1)CCN.
What is the InChIKey of N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
The InChIKey is YPRWTWQFELVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-11-16(13-10-15)12-6-9-14-7-4-3-5-8-14/h3-9H,2,10-13,15H2,1H3.
What are the key properties of N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine?
N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 57094572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).