1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol

C11H16N2O — CID 115695376

IUPAC1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESCc1ccnc(NCC2(O)CCC2)c1
InChIInChI=1S/C11H16N2O/c1-9-3-6-12-10(7-9)13-8-11(14)4-2-5-11/h3,6-7,14H,2,4-5,8H2,1H3,(H,12,13)
InChIKeyLKVNVVYRCRCYEU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.72
Rot. Bonds3

About 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol

1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol (PubChem CID 115695376) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
PubChem CID115695376
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESCc1ccnc(NCC2(O)CCC2)c1
InChIInChI=1S/C11H16N2O/c1-9-3-6-12-10(7-9)13-8-11(14)4-2-5-11/h3,6-7,14H,2,4-5,8H2,1H3,(H,12,13)
InChIKeyLKVNVVYRCRCYEU-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
CID 65122274
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
CID 115774912
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115629511
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 75520786
1-[[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 58706701
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol (CID 115695376) is 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol is Cc1ccnc(NCC2(O)CCC2)c1.
What is the InChIKey of 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is LKVNVVYRCRCYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-3-6-12-10(7-9)13-8-11(14)4-2-5-11/h3,6-7,14H,2,4-5,8H2,1H3,(H,12,13).
What are the key properties of 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115695376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).