4-tert-butyl-N-methylcyclohexan-1-amine

C11H23N — CID 15921596

IUPAC4-tert-butyl-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h9-10,12H,5-8H2,1-4H3
InChIKeyINGRKTXZUZXXPB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds1

About 4-tert-butyl-N-methylcyclohexan-1-amine

4-tert-butyl-N-methylcyclohexan-1-amine (PubChem CID 15921596) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-tert-butyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methylcyclohexan-1-amine
PubChem CID15921596
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-tert-butyl-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h9-10,12H,5-8H2,1-4H3
InChIKeyINGRKTXZUZXXPB-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methylcyclohexan-1-amine (CID 15921596) is 4-tert-butyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methylcyclohexan-1-amine?
The InChIKey is INGRKTXZUZXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methylcyclohexan-1-amine?
4-tert-butyl-N-methylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 15921596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).