1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C16H33NO — CID 113437285

IUPAC1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1CCCCOC
InChIInChI=1S/C16H33NO/c1-13(2)14-8-9-16(12-17-3)15(11-14)7-5-6-10-18-4/h13-17H,5-12H2,1-4H3
InChIKeyCBFYZCYBZOKSIK-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.71
Rot. Bonds8

About 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 113437285) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID113437285
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1CCCCOC
InChIInChI=1S/C16H33NO/c1-13(2)14-8-9-16(12-17-3)15(11-14)7-5-6-10-18-4/h13-17H,5-12H2,1-4H3
InChIKeyCBFYZCYBZOKSIK-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.71
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

N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031272
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 103020146
N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106735621
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81028970
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 113437285) is 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1CCCCOC.
What is the InChIKey of 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is CBFYZCYBZOKSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)14-8-9-16(12-17-3)15(11-14)7-5-6-10-18-4/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 255.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 113437285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).