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

C16H24N2 — CID 62619076

IUPAC2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(C)C(N)c1ccccc1
InChIInChI=1S/C16H24N2/c1-4-11-18(12-5-2)13-14(3)16(17)15-9-7-6-8-10-15/h4-10,14,16H,1-2,11-13,17H2,3H3
InChIKeyMWVHHLQDIZCYHZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.00
Rot. Bonds8

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

2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 62619076) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID62619076
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(C)C(N)c1ccccc1
InChIInChI=1S/C16H24N2/c1-4-11-18(12-5-2)13-14(3)16(17)15-9-7-6-8-10-15/h4-10,14,16H,1-2,11-13,17H2,3H3
InChIKeyMWVHHLQDIZCYHZ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
CID 102380041
1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 112586299
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
3-amino-1-[bis(prop-2-enyl)amino]-4-phenylsulfanylbutan-2-ol
CID 68939396
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 62619076) is 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CC(C)C(N)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is MWVHHLQDIZCYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-11-18(12-5-2)13-14(3)16(17)15-9-7-6-8-10-15/h4-10,14,16H,1-2,11-13,17H2,3H3.
What are the key properties of 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 62619076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).