N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine

C14H21N — CID 79339151

IUPACN,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H21N/c1-11(2)14(10-15-4)9-13-7-5-12(3)6-8-13/h5-9,11,15H,10H2,1-4H3
InChIKeyYFGCOOPNUASHEV-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.25
Rot. Bonds4

About N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine

N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine (PubChem CID 79339151) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
PubChem CID79339151
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H21N/c1-11(2)14(10-15-4)9-13-7-5-12(3)6-8-13/h5-9,11,15H,10H2,1-4H3
InChIKeyYFGCOOPNUASHEV-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339946
N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine
CID 79338967
2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339514
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
CID 79341732
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339685
(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
3-methyl-1-(methylamino)butan-2-one;toluene
CID 142538750
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine (CID 79339151) is N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine is CNCC(=Cc1ccc(C)cc1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine?
The InChIKey is YFGCOOPNUASHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14(10-15-4)9-13-7-5-12(3)6-8-13/h5-9,11,15H,10H2,1-4H3.
What are the key properties of N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine?
N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79339151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).