2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine

C16H33NO — CID 103034583

IUPAC2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CCC(C)(C)OC)C1
InChIInChI=1S/C16H33NO/c1-6-7-13-8-9-15(17-4)14(12-13)10-11-16(2,3)18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyBUZCFYCQBZZNJB-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds7

About 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine

2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 103034583) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID103034583
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CCC(C)(C)OC)C1
InChIInChI=1S/C16H33NO/c1-6-7-13-8-9-15(17-4)14(12-13)10-11-16(2,3)18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyBUZCFYCQBZZNJB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665
N-ethyl-3-(3-methoxy-3-methylbutyl)cyclopentan-1-amine
CID 103037532
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
CID 103019848
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine (CID 103034583) is 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(CCC(C)(C)OC)C1.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is BUZCFYCQBZZNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-13-8-9-15(17-4)14(12-13)10-11-16(2,3)18-5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine?
2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103034583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).