N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine

C16H20N4 — CID 60943626

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCC1CC=CCC1
InChIInChI=1S/C16H20N4/c1-13-17-10-11-20(13)16-15(8-5-9-18-16)19-12-14-6-3-2-4-7-14/h2-3,5,8-11,14,19H,4,6-7,12H2,1H3
InChIKeyLEGDJGLJSLFOCE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.34
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine

N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 60943626) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID60943626
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCC1CC=CCC1
InChIInChI=1S/C16H20N4/c1-13-17-10-11-20(13)16-15(8-5-9-18-16)19-12-14-6-3-2-4-7-14/h2-3,5,8-11,14,19H,4,6-7,12H2,1H3
InChIKeyLEGDJGLJSLFOCE-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 54863456
N-cyclopropyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 103439170
N-(dicyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945201
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945336
2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol
CID 81419902
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
2-(2-methylimidazol-1-yl)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 60944674
2-(2-methylimidazol-1-yl)-N-(3-methylsulfanylpropyl)pyridin-3-amine
CID 54863468
2-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
CID 60942995
2-amino-2-cyclopropyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 60928315
N-[(2-aminophenyl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 66418244
N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 106871952

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine (CID 60943626) is N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1nccn1-c1ncccc1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is LEGDJGLJSLFOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-17-10-11-20(13)16-15(8-5-9-18-16)19-12-14-6-3-2-4-7-14/h2-3,5,8-11,14,19H,4,6-7,12H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 60943626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).