ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine

C15H24N4 — CID 176927746

IUPACethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCC.Cc1c(C(C)C)ncn1Cc1cccnc1N
InChIInChI=1S/C13H18N4.C2H6/c1-9(2)12-10(3)17(8-16-12)7-11-5-4-6-15-13(11)14;1-2/h4-6,8-9H,7H2,1-3H3,(H2,14,15);1-2H3
InChIKeyLYMCKSFNQSQMEE-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.37
Rot. Bonds3

About ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine

ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine (PubChem CID 176927746) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
PubChem CID176927746
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Nameethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCC.Cc1c(C(C)C)ncn1Cc1cccnc1N
InChIInChI=1S/C13H18N4.C2H6/c1-9(2)12-10(3)17(8-16-12)7-11-5-4-6-15-13(11)14;1-2/h4-6,8-9H,7H2,1-3H3,(H2,14,15);1-2H3
InChIKeyLYMCKSFNQSQMEE-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 62464912
3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine
CID 176927661
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80583349
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
ethane;3-propylpyridin-2-amine
CID 176926436
ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine
CID 176927865
1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
CID 62464183
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine (CID 176927746) is ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine is CC.Cc1c(C(C)C)ncn1Cc1cccnc1N.
What is the InChIKey of ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is LYMCKSFNQSQMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.C2H6/c1-9(2)12-10(3)17(8-16-12)7-11-5-4-6-15-13(11)14;1-2/h4-6,8-9H,7H2,1-3H3,(H2,14,15);1-2H3.
What are the key properties of ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 176927746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).