(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine

C17H25N — CID 103093635

IUPAC(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cccc(C2CC2)c1
InChIInChI=1S/C17H25N/c1-4-10-18-14(3)13(2)11-15-6-5-7-17(12-15)16-8-9-16/h5-7,11-12,14,16,18H,4,8-10H2,1-3H3/b13-11+
InChIKeyOWNZFXOBBASELP-ACCUITESSA-N
MW243.39 g/mol
LogP4.36
Rot. Bonds6

About (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine

(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093635) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093635
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cccc(C2CC2)c1
InChIInChI=1S/C17H25N/c1-4-10-18-14(3)13(2)11-15-6-5-7-17(12-15)16-8-9-16/h5-7,11-12,14,16,18H,4,8-10H2,1-3H3/b13-11+
InChIKeyOWNZFXOBBASELP-ACCUITESSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093635) is (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1cccc(C2CC2)c1.
What is the InChIKey of (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is OWNZFXOBBASELP-ACCUITESSA-N. The full InChI is InChI=1S/C17H25N/c1-4-10-18-14(3)13(2)11-15-6-5-7-17(12-15)16-8-9-16/h5-7,11-12,14,16,18H,4,8-10H2,1-3H3/b13-11+.
What are the key properties of (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine?
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).