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

C17H33NO — CID 79124995

IUPAC1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2(CN)CCC(C)(C)CC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)5-9-16(13-18,10-6-14)17(19)11-7-15(3,4)8-12-17/h19H,5-13,18H2,1-4H3
InChIKeyPERMRXGICOKJCL-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.86
Rot. Bonds2

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

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 79124995) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID79124995
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2(CN)CCC(C)(C)CC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)5-9-16(13-18,10-6-14)17(19)11-7-15(3,4)8-12-17/h19H,5-13,18H2,1-4H3
InChIKeyPERMRXGICOKJCL-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79135498
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
CID 79123441
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
CID 80699615
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
CID 79124822
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
3-[1-(aminomethyl)cyclopropyl]azetidin-3-ol
CID 130513389
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
(4,4-dimethyl-1-propylcyclohexyl)methanamine
CID 65389394

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol (CID 79124995) is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(C2(CN)CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is PERMRXGICOKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)5-9-16(13-18,10-6-14)17(19)11-7-15(3,4)8-12-17/h19H,5-13,18H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol?
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.86, 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]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79124995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).