1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol

C14H22N2O — CID 65122535

IUPAC1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
SMILESCc1cnccc1NCC1(O)CCCCCC1
InChIInChI=1S/C14H22N2O/c1-12-10-15-9-6-13(12)16-11-14(17)7-4-2-3-5-8-14/h6,9-10,17H,2-5,7-8,11H2,1H3,(H,15,16)
InChIKeyVGTUSQZKQQNWDP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds3

About 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol

1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol (PubChem CID 65122535) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
PubChem CID65122535
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
SMILESCc1cnccc1NCC1(O)CCCCCC1
InChIInChI=1S/C14H22N2O/c1-12-10-15-9-6-13(12)16-11-14(17)7-4-2-3-5-8-14/h6,9-10,17H,2-5,7-8,11H2,1H3,(H,15,16)
InChIKeyVGTUSQZKQQNWDP-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114093576
2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114757045
1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79841693
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115399
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131914638
1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 142640688
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol (CID 65122535) is 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol is Cc1cnccc1NCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is VGTUSQZKQQNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-10-15-9-6-13(12)16-11-14(17)7-4-2-3-5-8-14/h6,9-10,17H,2-5,7-8,11H2,1H3,(H,15,16).
What are the key properties of 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol?
1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).