2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine

C20H39NO — CID 130207470

IUPAC2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N(C)C)C(C2COCCC2C(C)(C)C)C1
InChIInChI=1S/C20H39NO/c1-14(2)15-8-9-19(21(6)7)16(12-15)17-13-22-11-10-18(17)20(3,4)5/h14-19H,8-13H2,1-7H3
InChIKeyYUGJRYFSQLPABL-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.69
Rot. Bonds3

About 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine

2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 130207470) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID130207470
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N(C)C)C(C2COCCC2C(C)(C)C)C1
InChIInChI=1S/C20H39NO/c1-14(2)15-8-9-19(21(6)7)16(12-15)17-13-22-11-10-18(17)20(3,4)5/h14-19H,8-13H2,1-7H3
InChIKeyYUGJRYFSQLPABL-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 54374563
N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
CID 129034445
N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine
CID 130207486
N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
CID 131966173
1-[4-[1-[(1-Tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine
CID 138672420
4-tert-butyloxane;ethane;N,N,4-trimethylcyclohexan-1-amine
CID 144735000
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
CID 158111671
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;1,3-dimethyl-5-propan-2-ylcyclohexane;4-propan-2-yloxane
CID 159587821
4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane
CID 161496329
4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-methyloxane
CID 161751980
4-[2-Methyl-2-(oxan-3-yl)propyl]-1-propan-2-ylpiperidine
CID 169889965
N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine
CID 170279507

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine (CID 130207470) is 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N(C)C)C(C2COCCC2C(C)(C)C)C1.
What is the InChIKey of 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is YUGJRYFSQLPABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-14(2)15-8-9-19(21(6)7)16(12-15)17-13-22-11-10-18(17)20(3,4)5/h14-19H,8-13H2,1-7H3.
What are the key properties of 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine?
2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 309.54 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyloxan-3-yl)-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 130207470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).