1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol

C14H23N3O — CID 65115492

IUPAC1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1cc(N)cnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H23N3O/c1-10-3-5-14(18,6-4-10)9-17-13-11(2)7-12(15)8-16-13/h7-8,10,18H,3-6,9,15H2,1-2H3,(H,16,17)
InChIKeyODNXKLZMAMCLMN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.33
Rot. Bonds3

About 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115492) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115492
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1cc(N)cnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H23N3O/c1-10-3-5-14(18,6-4-10)9-17-13-11(2)7-12(15)8-16-13/h7-8,10,18H,3-6,9,15H2,1-2H3,(H,16,17)
InChIKeyODNXKLZMAMCLMN-UHFFFAOYSA-N
XLogP2.33
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 106796244
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80842529
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
1-[[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80992171
1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118365

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65115492) is 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol is Cc1cc(N)cnc1NCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is ODNXKLZMAMCLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-3-5-14(18,6-4-10)9-17-13-11(2)7-12(15)8-16-13/h7-8,10,18H,3-6,9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).