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

C15H25N3O — CID 66279334

IUPAC1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncc(C)cc2N)CC1
InChIInChI=1S/C15H25N3O/c1-3-12-4-6-15(19,7-5-12)10-18-14-13(16)8-11(2)9-17-14/h8-9,12,19H,3-7,10,16H2,1-2H3,(H,17,18)
InChIKeyCYLUBJFALBHRMT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds4

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

1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 66279334) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID66279334
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncc(C)cc2N)CC1
InChIInChI=1S/C15H25N3O/c1-3-12-4-6-15(19,7-5-12)10-18-14-13(16)8-11(2)9-17-14/h8-9,12,19H,3-7,10,16H2,1-2H3,(H,17,18)
InChIKeyCYLUBJFALBHRMT-UHFFFAOYSA-N
XLogP2.72
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 103078617
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310
1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121903
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492
1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 103553214

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 66279334) is 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2ncc(C)cc2N)CC1.
What is the InChIKey of 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is CYLUBJFALBHRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-12-4-6-15(19,7-5-12)10-18-14-13(16)8-11(2)9-17-14/h8-9,12,19H,3-7,10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 66279334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).