N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane

C19H39NO — CID 158111671

IUPACN,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
SMILESCC(C)C1CCC(N(C)C)CC1.CC(C)C1CCOCC1
InChIInChI=1S/C11H23N.C8H16O/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-7(2)8-3-5-9-6-4-8/h9-11H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3
InChIKeyFQMYZVSLZOOUPN-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.83
Rot. Bonds3

About N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane

N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane (PubChem CID 158111671) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
PubChem CID158111671
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
SMILESCC(C)C1CCC(N(C)C)CC1.CC(C)C1CCOCC1
InChIInChI=1S/C11H23N.C8H16O/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-7(2)8-3-5-9-6-4-8/h9-11H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3
InChIKeyFQMYZVSLZOOUPN-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;ethane
CID 169113778
ethane;4-propan-2-yloxane;4-propan-2-ylthiane
CID 170972006
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
CID 165012201
[oxan-4-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232457
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
dimethylamino(oxan-4-yl)methanol
CID 116909646
propan-2-ylcyclopropane;hydroiodide
CID 162314014
N-methyl-N-(3-methylbutan-2-yl)oxan-4-amine
CID 130651987
1-[4-(dimethylamino)cyclohexyl]propan-1-ol
CID 123513782
4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine
CID 142071347
cyclopropyl(oxan-4-yl)methanol
CID 63936668

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane?
The IUPAC name of N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane (CID 158111671) is N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane is CC(C)C1CCC(N(C)C)CC1.CC(C)C1CCOCC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane?
The InChIKey is FQMYZVSLZOOUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C8H16O/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-7(2)8-3-5-9-6-4-8/h9-11H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane?
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane has a molecular weight of 297.53 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane is sourced from PubChem (CID 158111671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).