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

C18H27N — CID 79977825

IUPAC2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1cccc(C2CC2)c1)C(C)C
InChIInChI=1S/C18H27N/c1-4-10-19-13-18(14(2)3)12-15-6-5-7-17(11-15)16-8-9-16/h5-7,11-12,14,16,19H,4,8-10,13H2,1-3H3
InChIKeyGFMUAEWASABWRJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.60
Rot. Bonds7

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

2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine (PubChem CID 79977825) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
PubChem CID79977825
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1cccc(C2CC2)c1)C(C)C
InChIInChI=1S/C18H27N/c1-4-10-19-13-18(14(2)3)12-15-6-5-7-17(11-15)16-8-9-16/h5-7,11-12,14,16,19H,4,8-10,13H2,1-3H3
InChIKeyGFMUAEWASABWRJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-methylbutan-1-amine
CID 79977385
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
3-(3-cyclopropylphenyl)-N-propylprop-2-en-1-amine
CID 79977395
3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
2-[(3-cyclopropylphenyl)methylidene]-3-methylbutanal
CID 79977672
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
CID 79977678
2-[(3-cyclopropylphenyl)methylidene]butanal
CID 79977528
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine (CID 79977825) is 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine is CCCNCC(=Cc1cccc(C2CC2)c1)C(C)C.
What is the InChIKey of 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The InChIKey is GFMUAEWASABWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-10-19-13-18(14(2)3)12-15-6-5-7-17(11-15)16-8-9-16/h5-7,11-12,14,16,19H,4,8-10,13H2,1-3H3.
What are the key properties of 2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.60, 7 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-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 79977825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).