(5-methyl-2-propan-2-ylcyclohexyl)methanamine

C11H23N — CID 22484470

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)methanamine
SMILESCC1CCC(C(C)C)C(CN)C1
InChIInChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3
InChIKeyBMNCNNYYLCTHDB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.65
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl)methanamine

(5-methyl-2-propan-2-ylcyclohexyl)methanamine (PubChem CID 22484470) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)methanamine
PubChem CID22484470
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)methanamine
SMILESCC1CCC(C(C)C)C(CN)C1
InChIInChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3
InChIKeyBMNCNNYYLCTHDB-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)methanamine (CID 22484470) is (5-methyl-2-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)methanamine is CC1CCC(C(C)C)C(CN)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)methanamine?
The InChIKey is BMNCNNYYLCTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)methanamine?
(5-methyl-2-propan-2-ylcyclohexyl)methanamine has a molecular weight of 169.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 22484470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).