1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C15H31NO — CID 62772775

IUPAC1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CNC(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-11(2)13-8-7-12(3)9-15(13,17)10-16-14(4,5)6/h11-13,16-17H,7-10H2,1-6H3
InChIKeyKGONKJFWMREGJK-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds3

About 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 62772775) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID62772775
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CNC(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-11(2)13-8-7-12(3)9-15(13,17)10-16-14(4,5)6/h11-13,16-17H,7-10H2,1-6H3
InChIKeyKGONKJFWMREGJK-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 62772775) is 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(CNC(C)(C)C)C1.
What is the InChIKey of 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is KGONKJFWMREGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)13-8-7-12(3)9-15(13,17)10-16-14(4,5)6/h11-13,16-17H,7-10H2,1-6H3.
What are the key properties of 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62772775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).