(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine

C13H20N2 — CID 97358759

IUPAC(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
SMILESC=CCC[C@H](C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H20N2/c1-4-5-8-11(2)15-12(3)13-9-6-7-10-14-13/h4,6-7,9-12,15H,1,5,8H2,2-3H3/t11-,12-/m0/s1
InChIKeyKMVFJVIXEVDUIX-RYUDHWBXSA-N
MW204.32 g/mol
LogP3.09
Rot. Bonds6

About (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine

(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine (PubChem CID 97358759) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
PubChem CID97358759
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
SMILESC=CCC[C@H](C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H20N2/c1-4-5-8-11(2)15-12(3)13-9-6-7-10-14-13/h4,6-7,9-12,15H,1,5,8H2,2-3H3/t11-,12-/m0/s1
InChIKeyKMVFJVIXEVDUIX-RYUDHWBXSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350
4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
CID 43202604
2-[(2R)-pent-4-en-2-yl]pyridine
CID 134838450
N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
CID 104655434
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 78980119
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine?
The IUPAC name of (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine (CID 97358759) is (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine.
What is the SMILES notation for (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine?
The canonical SMILES for (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine is C=CCC[C@H](C)N[C@@H](C)c1ccccn1.
What is the InChIKey of (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine?
The InChIKey is KMVFJVIXEVDUIX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-5-8-11(2)15-12(3)13-9-6-7-10-14-13/h4,6-7,9-12,15H,1,5,8H2,2-3H3/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine?
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine is sourced from PubChem (CID 97358759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).