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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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).