2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol

C13H27NO — CID 79126284

IUPAC2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-3-13(2,10-14)12(15)11-8-6-4-5-7-9-11/h11-12,15H,3-10,14H2,1-2H3
InChIKeyUHAITMGXICUAMH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.69
Rot. Bonds4

About 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol

2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol (PubChem CID 79126284) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol
PubChem CID79126284
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-3-13(2,10-14)12(15)11-8-6-4-5-7-9-11/h11-12,15H,3-10,14H2,1-2H3
InChIKeyUHAITMGXICUAMH-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-cyclopropyl-2-methylbutan-1-ol
CID 79137698
2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol
CID 79125963
1-cyclohexyl-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064519
2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol
CID 165445126
3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
CID 105460342
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 82931304
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
ethyl 2-chloro-3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 11368669
1-cyclohexyl-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065772
2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol
CID 165445181
(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
CID 11435805
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol (CID 79126284) is 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol is CCC(C)(CN)C(O)C1CCCCCC1.
What is the InChIKey of 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol?
The InChIKey is UHAITMGXICUAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-13(2,10-14)12(15)11-8-6-4-5-7-9-11/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol?
2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol is sourced from PubChem (CID 79126284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).