4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

C12H25NO — CID 60690321

IUPAC4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC1CCC(NCCOC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-10(2)14-9-8-13-12-6-4-11(3)5-7-12/h10-13H,4-9H2,1-3H3
InChIKeyHSAOYTFMJASOCD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (PubChem CID 60690321) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
PubChem CID60690321
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC1CCC(NCCOC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-10(2)14-9-8-13-12-6-4-11(3)5-7-12/h10-13H,4-9H2,1-3H3
InChIKeyHSAOYTFMJASOCD-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(4-methylpentan-2-yloxy)ethyl]cyclohexan-1-amine
CID 62572197
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
CID 62584943
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (CID 60690321) is 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is CC1CCC(NCCOC(C)C)CC1.
What is the InChIKey of 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The InChIKey is HSAOYTFMJASOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)14-9-8-13-12-6-4-11(3)5-7-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 60690321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).