N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine

C17H28N2 — CID 143144030

IUPACN-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
SMILESC=C(NCCN(CCC)CCC)c1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-5-12-19(13-6-2)14-11-18-16(4)17-9-7-15(3)8-10-17/h7-10,18H,4-6,11-14H2,1-3H3
InChIKeyWFIPREWIGFIQAJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.68
Rot. Bonds9

About N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine

N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine (PubChem CID 143144030) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
PubChem CID143144030
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
SMILESC=C(NCCN(CCC)CCC)c1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-5-12-19(13-6-2)14-11-18-16(4)17-9-7-15(3)8-10-17/h7-10,18H,4-6,11-14H2,1-3H3
InChIKeyWFIPREWIGFIQAJ-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916257
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54806040
N-[1-(4-methylphenyl)ethenyl]heptan-4-amine
CID 166131643
N,N-dipropylpropan-1-amine;toluene
CID 142167047
N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
CID 156841468
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine
CID 177319787
3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019798
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine (CID 143144030) is N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine is C=C(NCCN(CCC)CCC)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine?
The InChIKey is WFIPREWIGFIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-12-19(13-6-2)14-11-18-16(4)17-9-7-15(3)8-10-17/h7-10,18H,4-6,11-14H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine?
N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 143144030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).