[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

C16H33NO — CID 43294253

IUPAC[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCCCOC1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C16H33NO/c1-5-7-10-18-15-11-14(16(3,4)6-2)9-8-13(15)12-17/h13-15H,5-12,17H2,1-4H3
InChIKeySSKMJWAEAYBRFR-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.98
Rot. Bonds7

About [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (PubChem CID 43294253) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
PubChem CID43294253
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCCCOC1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C16H33NO/c1-5-7-10-18-15-11-14(16(3,4)6-2)9-8-13(15)12-17/h13-15H,5-12,17H2,1-4H3
InChIKeySSKMJWAEAYBRFR-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 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 ≤ 53.98
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-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428833
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
CID 43428856
2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106200952
(2-butoxy-4-phenylcyclohexyl)methanamine
CID 43294246
[4-(2-methylbutan-2-yl)-2-pentylsulfonylcyclohexyl]methanamine
CID 107766701
4-(2-methylbutan-2-yl)-2-(4-methylpentoxy)cyclohexane-1-carbonitrile
CID 43292743
(2-propoxycyclopropyl)methanamine
CID 102729399
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 115942468
2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane
CID 45094286
[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061

Frequently Asked Questions

What is the IUPAC name of [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The IUPAC name of [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (CID 43294253) is [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is CCCCOC1CC(C(C)(C)CC)CCC1CN.
What is the InChIKey of [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The InChIKey is SSKMJWAEAYBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-10-18-15-11-14(16(3,4)6-2)9-8-13(15)12-17/h13-15H,5-12,17H2,1-4H3.
What are the key properties of [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine has a molecular weight of 255.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43294253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).