N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine

C13H18N2 — CID 115893628

IUPACN-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)c1ccccn1
InChIInChI=1S/C13H18N2/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12/h3,5-7,9-12,15H,2,4,8H2,1H3
InChIKeyXFXZPDOTXBNAPU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.84
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine

N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine (PubChem CID 115893628) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
PubChem CID115893628
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)c1ccccn1
InChIInChI=1S/C13H18N2/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12/h3,5-7,9-12,15H,2,4,8H2,1H3
InChIKeyXFXZPDOTXBNAPU-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.84
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-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine
CID 101487493
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
2-(1-pyridin-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62741303
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine (CID 115893628) is N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine is CC(NC1C=CCCC1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine?
The InChIKey is XFXZPDOTXBNAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12/h3,5-7,9-12,15H,2,4,8H2,1H3.
What are the key properties of N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine?
N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 115893628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).