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

C11H23N — CID 20612686

IUPAC4-tert-butyl-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23N/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8,12H2,1-4H3
InChIKeyIVYHDKYCLYPOJT-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.94
Rot. Bonds

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

4-tert-butyl-1-methylcyclohexan-1-amine (PubChem CID 20612686) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-tert-butyl-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-methylcyclohexan-1-amine
PubChem CID20612686
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-tert-butyl-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23N/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8,12H2,1-4H3
InChIKeyIVYHDKYCLYPOJT-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-methylcyclohexan-1-amine (CID 20612686) is 4-tert-butyl-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-methylcyclohexan-1-amine is CC1(N)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methylcyclohexan-1-amine?
The InChIKey is IVYHDKYCLYPOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8,12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methylcyclohexan-1-amine?
4-tert-butyl-1-methylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylcyclohexan-1-amine is sourced from PubChem (CID 20612686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).