2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol

C13H27NO — CID 62611279

IUPAC2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
SMILESCCC(C)N(C)CC1CCCCCC1O
InChIInChI=1S/C13H27NO/c1-4-11(2)14(3)10-12-8-6-5-7-9-13(12)15/h11-13,15H,4-10H2,1-3H3
InChIKeyRXYFAFNAQAKDKY-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.66
Rot. Bonds4

About 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol

2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62611279) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
PubChem CID62611279
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
SMILESCCC(C)N(C)CC1CCCCCC1O
InChIInChI=1S/C13H27NO/c1-4-11(2)14(3)10-12-8-6-5-7-9-13(12)15/h11-13,15H,4-10H2,1-3H3
InChIKeyRXYFAFNAQAKDKY-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol (CID 62611279) is 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol is CCC(C)N(C)CC1CCCCCC1O.
What is the InChIKey of 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is RXYFAFNAQAKDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(2)14(3)10-12-8-6-5-7-9-13(12)15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol?
2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 213.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62611279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).