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

C15H21N — CID 79977385

IUPAC2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
SMILESCC(C)C(=Cc1cccc(C2CC2)c1)CN
InChIInChI=1S/C15H21N/c1-11(2)15(10-16)9-12-4-3-5-14(8-12)13-6-7-13/h3-5,8-9,11,13H,6-7,10,16H2,1-2H3
InChIKeyYHIKFSZLTNGPSV-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.56
Rot. Bonds4

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

2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine (PubChem CID 79977385) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
PubChem CID79977385
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
SMILESCC(C)C(=Cc1cccc(C2CC2)c1)CN
InChIInChI=1S/C15H21N/c1-11(2)15(10-16)9-12-4-3-5-14(8-12)13-6-7-13/h3-5,8-9,11,13H,6-7,10,16H2,1-2H3
InChIKeyYHIKFSZLTNGPSV-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79977825
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutanal
CID 79977672
2-[(3-cyclopropylphenyl)methylidene]butanal
CID 79977528
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
CID 79984292
3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
CID 79977678
N-[(3-cyclopropylphenyl)methylidene]hydroxylamine
CID 79977457
1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene
CID 79976856
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
CID 66902963

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine (CID 79977385) is 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine is CC(C)C(=Cc1cccc(C2CC2)c1)CN.
What is the InChIKey of 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is YHIKFSZLTNGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)15(10-16)9-12-4-3-5-14(8-12)13-6-7-13/h3-5,8-9,11,13H,6-7,10,16H2,1-2H3.
What are the key properties of 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine?
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 79977385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).