2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol

C13H27NO — CID 114493275

IUPAC2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCCCCC1C
InChIInChI=1S/C13H27NO/c1-4-13(3,15)10-14-12-9-7-5-6-8-11(12)2/h11-12,14-15H,4-10H2,1-3H3
InChIKeyIWXFYOLNIBTYJX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds4

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

2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol (PubChem CID 114493275) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
PubChem CID114493275
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCCCCC1C
InChIInChI=1S/C13H27NO/c1-4-13(3,15)10-14-12-9-7-5-6-8-11(12)2/h11-12,14-15H,4-10H2,1-3H3
InChIKeyIWXFYOLNIBTYJX-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747
1-[(2-butylcyclopentyl)amino]-2-methylbutan-2-ol
CID 115718135
2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine
CID 115689631
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
CID 66180147
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol (CID 114493275) is 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol is CCC(C)(O)CNC1CCCCCC1C.
What is the InChIKey of 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol?
The InChIKey is IWXFYOLNIBTYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-13(3,15)10-14-12-9-7-5-6-8-11(12)2/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol?
2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol is sourced from PubChem (CID 114493275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).