3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine

C15H31NO — CID 62567076

IUPAC3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine
SMILESCC1CCCCC1OCCNCCC(C)(C)C
InChIInChI=1S/C15H31NO/c1-13-7-5-6-8-14(13)17-12-11-16-10-9-15(2,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyXSRIGJXOTHTSID-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine

3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine (PubChem CID 62567076) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine
PubChem CID62567076
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine
SMILESCC1CCCCC1OCCNCCC(C)(C)C
InChIInChI=1S/C15H31NO/c1-13-7-5-6-8-14(13)17-12-11-16-10-9-15(2,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyXSRIGJXOTHTSID-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine (CID 62567076) is 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine is CC1CCCCC1OCCNCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine?
The InChIKey is XSRIGJXOTHTSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13-7-5-6-8-14(13)17-12-11-16-10-9-15(2,3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine?
3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine is sourced from PubChem (CID 62567076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).