N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine

C13H20N2 — CID 104583908

IUPACN-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
SMILESC=CCCC(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C13H20N2/c1-4-5-7-11(2)15-12(3)13-8-6-9-14-10-13/h4,6,8-12,15H,1,5,7H2,2-3H3/t11?,12-/m1/s1
InChIKeyPMHZNHIOSUMMCJ-PIJUOVFKSA-N
MW204.32 g/mol
LogP3.09
Rot. Bonds6

About N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine

N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine (PubChem CID 104583908) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
PubChem CID104583908
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
SMILESC=CCCC(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C13H20N2/c1-4-5-7-11(2)15-12(3)13-8-6-9-14-10-13/h4,6,8-12,15H,1,5,7H2,2-3H3/t11?,12-/m1/s1
InChIKeyPMHZNHIOSUMMCJ-PIJUOVFKSA-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-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine
CID 115899472
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine?
The IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine (CID 104583908) is N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine?
The canonical SMILES for N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine is C=CCCC(C)N[C@H](C)c1cccnc1.
What is the InChIKey of N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine?
The InChIKey is PMHZNHIOSUMMCJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-5-7-11(2)15-12(3)13-8-6-9-14-10-13/h4,6,8-12,15H,1,5,7H2,2-3H3/t11?,12-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine?
N-[(1R)-1-pyridin-3-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-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine is sourced from PubChem (CID 104583908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).