3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol

C14H29NO — CID 104694704

IUPAC3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC1CCCCCC1
InChIInChI=1S/C14H29NO/c1-13(2,14(3,4)16)15-11-12-9-7-5-6-8-10-12/h12,15-16H,5-11H2,1-4H3
InChIKeyGZUGXFCGOFAFHM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds4

About 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol

3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol (PubChem CID 104694704) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol
PubChem CID104694704
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC1CCCCCC1
InChIInChI=1S/C14H29NO/c1-13(2,14(3,4)16)15-11-12-9-7-5-6-8-10-12/h12,15-16H,5-11H2,1-4H3
InChIKeyGZUGXFCGOFAFHM-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 106185997
N-(cyclopentylmethyl)-3-methylpentan-3-amine
CID 103746706
3-(2-cyclopropylethylamino)-2,3-dimethylbutan-2-ol
CID 103993555
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
2-(cyclopentylmethylamino)-2-methylpentan-1-ol
CID 115882646
3-cyclopentyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895541
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
N-(cyclobutylmethyl)-2-methylbutan-2-amine
CID 65460080
tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine
CID 161245783
N-cyclopentyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 113350261
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol (CID 104694704) is 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is GZUGXFCGOFAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,14(3,4)16)15-11-12-9-7-5-6-8-10-12/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol?
3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 104694704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).