4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine

C17H35NO — CID 160765658

IUPAC4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine
SMILESCC(C)C1CCOCC1.CC1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N.C8H16O/c1-8-4-6-9(7-5-8)10(2)3;1-7(2)8-3-5-9-6-4-8/h8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyRYQOYPWQBKGXJT-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.20
Rot. Bonds2

About 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine

4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine (PubChem CID 160765658) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine
PubChem CID160765658
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine
SMILESCC(C)C1CCOCC1.CC1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N.C8H16O/c1-8-4-6-9(7-5-8)10(2)3;1-7(2)8-3-5-9-6-4-8/h8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyRYQOYPWQBKGXJT-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine (CID 160765658) is 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine is CC(C)C1CCOCC1.CC1CCC(N(C)C)CC1.
What is the InChIKey of 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is RYQOYPWQBKGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H16O/c1-8-4-6-9(7-5-8)10(2)3;1-7(2)8-3-5-9-6-4-8/h8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 160765658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).