5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine

C21H28N6 — CID 162155296

IUPAC5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine
SMILESCn1cncc1-c1ccc(N)nc1.Nc1ccc(CC2CCCCC2)cn1
InChIInChI=1S/C12H18N2.C9H10N4/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10;1-13-6-11-5-8(13)7-2-3-9(10)12-4-7/h6-7,9-10H,1-5,8H2,(H2,13,14);2-6H,1H3,(H2,10,12)
InChIKeyZLTAXYFWYUNPMP-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.85
Rot. Bonds3

About 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine

5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine (PubChem CID 162155296) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine
PubChem CID162155296
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine
SMILESCn1cncc1-c1ccc(N)nc1.Nc1ccc(CC2CCCCC2)cn1
InChIInChI=1S/C12H18N2.C9H10N4/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10;1-13-6-11-5-8(13)7-2-3-9(10)12-4-7/h6-7,9-10H,1-5,8H2,(H2,13,14);2-6H,1H3,(H2,10,12)
InChIKeyZLTAXYFWYUNPMP-UHFFFAOYSA-N
XLogP3.85
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114718674
5-[3-[2-(oxan-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106000281
5-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719455
5-[3-(3,3-dimethylcyclopentyl)imidazol-4-yl]pyridin-2-amine
CID 114722572
5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720108
5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720404
5-(3-octylimidazol-4-yl)pyridin-2-amine
CID 114721585
5-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114719365
5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine
CID 114719509
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962
5-[3-[1-(diethylamino)propan-2-yl]imidazol-4-yl]pyridin-2-amine
CID 114718996
5-[3-(cyclobutylamino)butyl]pyridin-2-amine
CID 69324744

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine (CID 162155296) is 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine is Cn1cncc1-c1ccc(N)nc1.Nc1ccc(CC2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine?
The InChIKey is ZLTAXYFWYUNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C9H10N4/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10;1-13-6-11-5-8(13)7-2-3-9(10)12-4-7/h6-7,9-10H,1-5,8H2,(H2,13,14);2-6H,1H3,(H2,10,12).
What are the key properties of 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine?
5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine has a molecular weight of 364.50 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)pyridin-2-amine;5-(3-methylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 162155296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).