2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine

C11H23N — CID 64761587

IUPAC2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C(C)C)C1
InChIInChI=1S/C11H23N/c1-8(2)11(12)7-9(3)5-6-10(11)4/h8-10H,5-7,12H2,1-4H3
InChIKeyXJSAWQYWYWAMDM-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds1

About 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine

2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine (PubChem CID 64761587) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine
PubChem CID64761587
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C(C)C)C1
InChIInChI=1S/C11H23N/c1-8(2)11(12)7-9(3)5-6-10(11)4/h8-10H,5-7,12H2,1-4H3
InChIKeyXJSAWQYWYWAMDM-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine (CID 64761587) is 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine is CC1CCC(C)C(N)(C(C)C)C1.
What is the InChIKey of 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine?
The InChIKey is XJSAWQYWYWAMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)11(12)7-9(3)5-6-10(11)4/h8-10H,5-7,12H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine?
2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64761587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).