N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine

C13H20N2 — CID 104655811

IUPACN-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
SMILESC=CCCC(C)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H20N2/c1-4-5-6-11(2)15-12(3)13-7-9-14-10-8-13/h4,7-12,15H,1,5-6H2,2-3H3/t11?,12-/m0/s1
InChIKeyLDPXPFOVFZARPQ-KIYNQFGBSA-N
MW204.32 g/mol
LogP3.09
Rot. Bonds6

About N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine

N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine (PubChem CID 104655811) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
PubChem CID104655811
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
SMILESC=CCCC(C)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H20N2/c1-4-5-6-11(2)15-12(3)13-7-9-14-10-8-13/h4,7-12,15H,1,5-6H2,2-3H3/t11?,12-/m0/s1
InChIKeyLDPXPFOVFZARPQ-KIYNQFGBSA-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-3-ylethyl]hex-5-en-2-amine
CID 104583908
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine
CID 115899472
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 104866879
N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine
CID 103852827
1-pyridin-4-ylpent-4-enylhydrazine
CID 105196473
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
CID 104655434

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine (CID 104655811) is N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine is C=CCCC(C)N[C@@H](C)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine?
The InChIKey is LDPXPFOVFZARPQ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-5-6-11(2)15-12(3)13-7-9-14-10-8-13/h4,7-12,15H,1,5-6H2,2-3H3/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine?
N-[(1S)-1-pyridin-4-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 N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine is sourced from PubChem (CID 104655811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).