N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C16H24N2 — CID 55094933

IUPACN-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCC(NC)c1ccccc1
InChIInChI=1S/C16H24N2/c1-4-12-18(13-5-2)14-11-16(17-3)15-9-7-6-8-10-15/h4-10,16-17H,1-2,11-14H2,3H3
InChIKeyCASZOKBISAJUGO-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.01
Rot. Bonds9

About N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 55094933) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID55094933
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCC(NC)c1ccccc1
InChIInChI=1S/C16H24N2/c1-4-12-18(13-5-2)14-11-16(17-3)15-9-7-6-8-10-15/h4-10,16-17H,1-2,11-14H2,3H3
InChIKeyCASZOKBISAJUGO-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.01
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'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62612946
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495
1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol
CID 62612299
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 55094933) is N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CCC(NC)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is CASZOKBISAJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-12-18(13-5-2)14-11-16(17-3)15-9-7-6-8-10-15/h4-10,16-17H,1-2,11-14H2,3H3.
What are the key properties of N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 55094933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).