[1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol

C13H27NO — CID 81410974

IUPAC[1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCCCC(C)NCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-3-7-12(2)14-10-13(11-15)8-5-4-6-9-13/h12,14-15H,3-11H2,1-2H3
InChIKeyFMLILBQKZQXOGO-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol

[1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81410974) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol
PubChem CID81410974
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCCCC(C)NCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-3-7-12(2)14-10-13(11-15)8-5-4-6-9-13/h12,14-15H,3-11H2,1-2H3
InChIKeyFMLILBQKZQXOGO-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol (CID 81410974) is [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol is CCCC(C)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is FMLILBQKZQXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-7-12(2)14-10-13(11-15)8-5-4-6-9-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol?
[1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pentan-2-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81410974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).