(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine

C13H20N2 — CID 103093541

IUPAC(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cccnc1
InChIInChI=1S/C13H20N2/c1-4-7-15-12(3)11(2)9-13-6-5-8-14-10-13/h5-6,8-10,12,15H,4,7H2,1-3H3/b11-9+
InChIKeyXBBOUJJOLQFMJU-PKNBQFBNSA-N
MW204.32 g/mol
LogP2.87
Rot. Bonds5

About (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine

(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine (PubChem CID 103093541) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
PubChem CID103093541
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cccnc1
InChIInChI=1S/C13H20N2/c1-4-7-15-12(3)11(2)9-13-6-5-8-14-10-13/h5-6,8-10,12,15H,4,7H2,1-3H3/b11-9+
InChIKeyXBBOUJJOLQFMJU-PKNBQFBNSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093795
3-(2-methyl-3-nitrosobut-1-enyl)pyridine
CID 90941422
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
1-(butylamino)-2-pyridin-3-ylethenol
CID 71416550
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597
2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
CID 103093629
(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
CID 87467854
(E)-4-(5-chloro-1,3-thiazol-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 107126290
N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
CID 54508812
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine (CID 103093541) is (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1cccnc1.
What is the InChIKey of (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine?
The InChIKey is XBBOUJJOLQFMJU-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-7-15-12(3)11(2)9-13-6-5-8-14-10-13/h5-6,8-10,12,15H,4,7H2,1-3H3/b11-9+.
What are the key properties of (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine?
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine is sourced from PubChem (CID 103093541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).