2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine

C11H23N — CID 63996664

IUPAC2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC(C)C)C(C)C1
InChIInChI=1S/C11H23N/c1-8(2)12-11-6-5-9(3)7-10(11)4/h8-12H,5-7H2,1-4H3
InChIKeyMCTOGJCASULIHX-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds2

About 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine

2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 63996664) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID63996664
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC(C)C)C(C)C1
InChIInChI=1S/C11H23N/c1-8(2)12-11-6-5-9(3)7-10(11)4/h8-12H,5-7H2,1-4H3
InChIKeyMCTOGJCASULIHX-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine (CID 63996664) is 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine is CC1CCC(NC(C)C)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is MCTOGJCASULIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)12-11-6-5-9(3)7-10(11)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine?
2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63996664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).