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

C17H27NO — CID 103093563

IUPAC(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(OCCC)cc1
InChIInChI=1S/C17H27NO/c1-5-11-18-15(4)14(3)13-16-7-9-17(10-8-16)19-12-6-2/h7-10,13,15,18H,5-6,11-12H2,1-4H3/b14-13+
InChIKeyQZKFWPJWNBJIPG-BUHFOSPRSA-N
MW261.41 g/mol
LogP4.27
Rot. Bonds8

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

(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine (PubChem CID 103093563) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
PubChem CID103093563
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(OCCC)cc1
InChIInChI=1S/C17H27NO/c1-5-11-18-15(4)14(3)13-16-7-9-17(10-8-16)19-12-6-2/h7-10,13,15,18H,5-6,11-12H2,1-4H3/b14-13+
InChIKeyQZKFWPJWNBJIPG-BUHFOSPRSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine (CID 103093563) is (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccc(OCCC)cc1.
What is the InChIKey of (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine?
The InChIKey is QZKFWPJWNBJIPG-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-11-18-15(4)14(3)13-16-7-9-17(10-8-16)19-12-6-2/h7-10,13,15,18H,5-6,11-12H2,1-4H3/b14-13+.
What are the key properties of (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine?
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).