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

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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).