N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine

C16H33NO — CID 64731413

IUPACN-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
SMILESCC1CC(C)CC(OCCNCCC(C)(C)C)C1
InChIInChI=1S/C16H33NO/c1-13-10-14(2)12-15(11-13)18-9-8-17-7-6-16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyWMJDQLSGQLNNFO-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine (PubChem CID 64731413) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
PubChem CID64731413
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
SMILESCC1CC(C)CC(OCCNCCC(C)(C)C)C1
InChIInChI=1S/C16H33NO/c1-13-10-14(2)12-15(11-13)18-9-8-17-7-6-16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyWMJDQLSGQLNNFO-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
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 N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine (CID 64731413) is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine is CC1CC(C)CC(OCCNCCC(C)(C)C)C1.
What is the InChIKey of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is WMJDQLSGQLNNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13-10-14(2)12-15(11-13)18-9-8-17-7-6-16(3,4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine?
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 64731413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).