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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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 60976387
N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
CID 60960704
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
CID 64731413
N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
CID 62444338
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
CID 119723107
2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol
CID 155305830
2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
CID 65259711
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
1-(3-chloropropoxy)-2-methylcyclohexane
CID 24689088
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
N-(2-cyclopentyloxyethyl)-2,2-dimethylpropan-1-amine
CID 63001166

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).