1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol

C17H33NO — CID 79124822

IUPAC1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCC(C)(C)CC2)C1C
InChIInChI=1S/C17H33NO/c1-13-6-5-7-17(19,14(13)2)16(12-18)10-8-15(3,4)9-11-16/h13-14,19H,5-12,18H2,1-4H3
InChIKeyNIJHDGCBZOGOOJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds2

About 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 79124822) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID79124822
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCC(C)(C)CC2)C1C
InChIInChI=1S/C17H33NO/c1-13-6-5-7-17(19,14(13)2)16(12-18)10-8-15(3,4)9-11-16/h13-14,19H,5-12,18H2,1-4H3
InChIKeyNIJHDGCBZOGOOJ-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-2,3-dimethylcyclohexan-1-ol
CID 79123457
1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol
CID 79125923
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314911
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
[1-(2,2-dimethylpyrrolidin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64763160
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79135498
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106664470
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol (CID 79124822) is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(C2(CN)CCC(C)(C)CC2)C1C.
What is the InChIKey of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is NIJHDGCBZOGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13-6-5-7-17(19,14(13)2)16(12-18)10-8-15(3,4)9-11-16/h13-14,19H,5-12,18H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol?
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79124822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).