N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine

C20H39NO — CID 129034445

IUPACN,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
SMILESCC(CCC(C)(C)C1CCOCC1)C1CCC(N(C)C)CC1
InChIInChI=1S/C20H39NO/c1-16(17-6-8-19(9-7-17)21(4)5)10-13-20(2,3)18-11-14-22-15-12-18/h16-19H,6-15H2,1-5H3
InChIKeyUSQKQSIDMNPYCO-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.98
Rot. Bonds6

About N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine

N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine (PubChem CID 129034445) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
PubChem CID129034445
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
SMILESCC(CCC(C)(C)C1CCOCC1)C1CCC(N(C)C)CC1
InChIInChI=1S/C20H39NO/c1-16(17-6-8-19(9-7-17)21(4)5)10-13-20(2,3)18-11-14-22-15-12-18/h16-19H,6-15H2,1-5H3
InChIKeyUSQKQSIDMNPYCO-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine (CID 129034445) is N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine is CC(CCC(C)(C)C1CCOCC1)C1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
The InChIKey is USQKQSIDMNPYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-16(17-6-8-19(9-7-17)21(4)5)10-13-20(2,3)18-11-14-22-15-12-18/h16-19H,6-15H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine has a molecular weight of 309.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 129034445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).