(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine

C13H20N2 — CID 87467854

IUPAC(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
SMILESCNC(C)CC/C(C)=C/c1cccnc1
InChIInChI=1S/C13H20N2/c1-11(6-7-12(2)14-3)9-13-5-4-8-15-10-13/h4-5,8-10,12,14H,6-7H2,1-3H3/b11-9+
InChIKeyHUGUNCUQATWKMX-PKNBQFBNSA-N
MW204.32 g/mol
LogP2.87
Rot. Bonds5

About (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine

(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine (PubChem CID 87467854) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine.

Molecular Properties

Compound Name(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
PubChem CID87467854
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
SMILESCNC(C)CC/C(C)=C/c1cccnc1
InChIInChI=1S/C13H20N2/c1-11(6-7-12(2)14-3)9-13-5-4-8-15-10-13/h4-5,8-10,12,14H,6-7H2,1-3H3/b11-9+
InChIKeyHUGUNCUQATWKMX-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

N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
CID 54508812
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
3-(2-methyl-3-nitrosobut-1-enyl)pyridine
CID 90941422
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
tetrakis((E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine);(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 131726710
4-methyl-6-(3-pyridin-3-ylprop-2-enoylamino)hexanoic acid
CID 77024850
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
(2Z)-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)pentanoic acid
CID 69453243
1-(butylamino)-2-pyridin-3-ylethenol
CID 71416550

Frequently Asked Questions

What is the IUPAC name of (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine?
The IUPAC name of (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine (CID 87467854) is (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine.
What is the SMILES notation for (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine?
The canonical SMILES for (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine is CNC(C)CC/C(C)=C/c1cccnc1.
What is the InChIKey of (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine?
The InChIKey is HUGUNCUQATWKMX-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(6-7-12(2)14-3)9-13-5-4-8-15-10-13/h4-5,8-10,12,14H,6-7H2,1-3H3/b11-9+.
What are the key properties of (E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine?
(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-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)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine is sourced from PubChem (CID 87467854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).