3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine

C18H28N2 — CID 91254389

IUPAC3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCC(C)(C)c1ccccc1/C(C)=N/C
InChIInChI=1S/C18H28N2/c1-14(2)20(7)13-12-18(4,5)17-11-9-8-10-16(17)15(3)19-6/h8-11H,1,12-13H2,2-7H3/b19-15+
InChIKeyOCTCMLHOQSPVJR-XDJHFCHBSA-N
MW272.44 g/mol
LogP4.26
Rot. Bonds6

About 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine

3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 91254389) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID91254389
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCC(C)(C)c1ccccc1/C(C)=N/C
InChIInChI=1S/C18H28N2/c1-14(2)20(7)13-12-18(4,5)17-11-9-8-10-16(17)15(3)19-6/h8-11H,1,12-13H2,2-7H3/b19-15+
InChIKeyOCTCMLHOQSPVJR-XDJHFCHBSA-N
XLogP4.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
1-(1-isocyanato-2-methylpropan-2-yl)-2-prop-1-en-2-ylbenzene
CID 57206517
N'-methyl-N'-prop-1-en-2-ylethane-1,2-diamine
CID 130357566
1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene
CID 143192711
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine
CID 166131639
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide
CID 144553644
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
2-(2-methyl-1-methylsulfonylpropan-2-yl)benzoic acid
CID 115047804
1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine
CID 143784368
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005

Frequently Asked Questions

What is the IUPAC name of 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine (CID 91254389) is 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(C)CCC(C)(C)c1ccccc1/C(C)=N/C.
What is the InChIKey of 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is OCTCMLHOQSPVJR-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)20(7)13-12-18(4,5)17-11-9-8-10-16(17)15(3)19-6/h8-11H,1,12-13H2,2-7H3/b19-15+.
What are the key properties of 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 91254389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).