1-(cycloheptylamino)-2,3-dimethylbutan-2-ol

C13H27NO — CID 111118556

IUPAC1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-11(2)13(3,15)10-14-12-8-6-4-5-7-9-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOAIJCYOOQUOLDB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds4

About 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol

1-(cycloheptylamino)-2,3-dimethylbutan-2-ol (PubChem CID 111118556) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
PubChem CID111118556
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-11(2)13(3,15)10-14-12-8-6-4-5-7-9-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOAIJCYOOQUOLDB-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

1-(cyclohexylamino)-2,2,4-trimethylpentan-3-ol
CID 109380064
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
1-(cyclohexylamino)-2-cyclopropylpropan-2-ol
CID 82239509
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
2-cyclopentyl-1-(cyclopentylamino)propan-2-ol
CID 82239501
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
CID 103783162
1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847310
1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol (CID 111118556) is 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNC1CCCCCC1.
What is the InChIKey of 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is OAIJCYOOQUOLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)13(3,15)10-14-12-8-6-4-5-7-9-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol?
1-(cycloheptylamino)-2,3-dimethylbutan-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 1-(cycloheptylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 111118556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).