N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine

C18H29N — CID 79330140

IUPACN-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(C(C)C)cc1)CNCC(C)C
InChIInChI=1S/C18H29N/c1-6-16(13-19-12-14(2)3)11-17-7-9-18(10-8-17)15(4)5/h7-11,14-15,19H,6,12-13H2,1-5H3
InChIKeyNNJBAUHOTIVAMG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.85
Rot. Bonds7

About N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine

N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine (PubChem CID 79330140) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
PubChem CID79330140
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(C(C)C)cc1)CNCC(C)C
InChIInChI=1S/C18H29N/c1-6-16(13-19-12-14(2)3)11-17-7-9-18(10-8-17)15(4)5/h7-11,14-15,19H,6,12-13H2,1-5H3
InChIKeyNNJBAUHOTIVAMG-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79341702
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218
2-[(4-bromo-3-nitrophenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79330384
N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
CID 79330038
2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79329717
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
CID 113328651
2-[(4-propan-2-ylphenyl)methylidene]butanal
CID 79014775
2-[(4-bromo-5-chlorothiophen-2-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 102845586
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329321
N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79330139

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine (CID 79330140) is N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine is CCC(=Cc1ccc(C(C)C)cc1)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine?
The InChIKey is NNJBAUHOTIVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-6-16(13-19-12-14(2)3)11-17-7-9-18(10-8-17)15(4)5/h7-11,14-15,19H,6,12-13H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine?
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79330140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).