2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine

C15H21N — CID 79977678

IUPAC2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cccc(C2CC2)c1)CNC
InChIInChI=1S/C15H21N/c1-3-12(11-16-2)9-13-5-4-6-15(10-13)14-7-8-14/h4-6,9-10,14,16H,3,7-8,11H2,1-2H3
InChIKeyKSKTWGUGYQAMLH-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.58
Rot. Bonds5

About 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine

2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine (PubChem CID 79977678) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
PubChem CID79977678
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cccc(C2CC2)c1)CNC
InChIInChI=1S/C15H21N/c1-3-12(11-16-2)9-13-5-4-6-15(10-13)14-7-8-14/h4-6,9-10,14,16H,3,7-8,11H2,1-2H3
InChIKeyKSKTWGUGYQAMLH-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
2-[(3-cyclopropylphenyl)methylidene]butanal
CID 79977528
2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79977825
(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
CID 79977385
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
CID 79984292
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine
CID 79977248
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutanal
CID 79977672
N-[(3-cyclopropylphenyl)methylidene]hydroxylamine
CID 79977457

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine (CID 79977678) is 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1cccc(C2CC2)c1)CNC.
What is the InChIKey of 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine?
The InChIKey is KSKTWGUGYQAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-12(11-16-2)9-13-5-4-6-15(10-13)14-7-8-14/h4-6,9-10,14,16H,3,7-8,11H2,1-2H3.
What are the key properties of 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine?
2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 79977678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).