(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine

C13H20N2 — CID 97358782

IUPAC(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
SMILESC=CCC[C@@H](C)NCCc1ccccn1
InChIInChI=1S/C13H20N2/c1-3-4-7-12(2)14-11-9-13-8-5-6-10-15-13/h3,5-6,8,10,12,14H,1,4,7,9,11H2,2H3/t12-/m1/s1
InChIKeyJOYJMKIXSZAKQW-GFCCVEGCSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds7

About (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine

(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine (PubChem CID 97358782) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
PubChem CID97358782
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
SMILESC=CCC[C@@H](C)NCCc1ccccn1
InChIInChI=1S/C13H20N2/c1-3-4-7-12(2)14-11-9-13-8-5-6-10-15-13/h3,5-6,8,10,12,14H,1,4,7,9,11H2,2H3/t12-/m1/s1
InChIKeyJOYJMKIXSZAKQW-GFCCVEGCSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
CID 106349529
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
2-oct-7-enylpyridine
CID 57031977

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine?
The IUPAC name of (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine (CID 97358782) is (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine.
What is the SMILES notation for (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine?
The canonical SMILES for (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine is C=CCC[C@@H](C)NCCc1ccccn1.
What is the InChIKey of (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine?
The InChIKey is JOYJMKIXSZAKQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-7-12(2)14-11-9-13-8-5-6-10-15-13/h3,5-6,8,10,12,14H,1,4,7,9,11H2,2H3/t12-/m1/s1.
What are the key properties of (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine?
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine is sourced from PubChem (CID 97358782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).