(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

C19H29N — CID 79976727

IUPAC(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNC/C(=C/c1cccc(C2CC2)c1)C(C)C
InChIInChI=1S/C19H29N/c1-14(2)12-20-13-19(15(3)4)11-16-6-5-7-18(10-16)17-8-9-17/h5-7,10-11,14-15,17,20H,8-9,12-13H2,1-4H3/b19-11-
InChIKeyBMGBFPVRVZGCFW-ODLFYWEKSA-N
MW271.45 g/mol
LogP4.85
Rot. Bonds7

About (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79976727) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79976727
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNC/C(=C/c1cccc(C2CC2)c1)C(C)C
InChIInChI=1S/C19H29N/c1-14(2)12-20-13-19(15(3)4)11-16-6-5-7-18(10-16)17-8-9-17/h5-7,10-11,14-15,17,20H,8-9,12-13H2,1-4H3/b19-11-
InChIKeyBMGBFPVRVZGCFW-ODLFYWEKSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79977825
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
CID 79977385
3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine
CID 79342888
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutanal
CID 79977672
3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79342677
2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
CID 79977678
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
2-[(3-cyclopropylphenyl)methylidene]butanal
CID 79977528
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79976727) is (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNC/C(=C/c1cccc(C2CC2)c1)C(C)C.
What is the InChIKey of (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is BMGBFPVRVZGCFW-ODLFYWEKSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)12-20-13-19(15(3)4)11-16-6-5-7-18(10-16)17-8-9-17/h5-7,10-11,14-15,17,20H,8-9,12-13H2,1-4H3/b19-11-.
What are the key properties of (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 271.45 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 (2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79976727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).