1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C16H24N2 — CID 62618903

IUPAC1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCC(N)c1ccc(C)cc1
InChIInChI=1S/C16H24N2/c1-4-11-18(12-5-2)13-10-16(17)15-8-6-14(3)7-9-15/h4-9,16H,1-2,10-13,17H2,3H3
InChIKeyRZJFNXRZMFTKCF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.06
Rot. Bonds8

About 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine

1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 62618903) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID62618903
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCC(N)c1ccc(C)cc1
InChIInChI=1S/C16H24N2/c1-4-11-18(12-5-2)13-10-16(17)15-8-6-14(3)7-9-15/h4-9,16H,1-2,10-13,17H2,3H3
InChIKeyRZJFNXRZMFTKCF-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.06
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',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N'-tert-butyl-1-(4-methylphenyl)-N'-prop-2-enylethane-1,2-diamine
CID 114172181
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol
CID 113476393
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
CID 82071253
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 62618903) is 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CCC(N)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is RZJFNXRZMFTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-11-18(12-5-2)13-10-16(17)15-8-6-14(3)7-9-15/h4-9,16H,1-2,10-13,17H2,3H3.
What are the key properties of 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 62618903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).