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

C19H41NO — CID 157380626

IUPACethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine
SMILESCC.CC(C)C1CCOCC1.CC1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N.C8H16O.C2H6/c1-8-4-6-9(7-5-8)10(2)3;1-7(2)8-3-5-9-6-4-8;1-2/h8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3
InChIKeyBKVMRYAFRZZLMC-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.22
Rot. Bonds2

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

ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine (PubChem CID 157380626) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine
PubChem CID157380626
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Nameethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine
SMILESCC.CC(C)C1CCOCC1.CC1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N.C8H16O.C2H6/c1-8-4-6-9(7-5-8)10(2)3;1-7(2)8-3-5-9-6-4-8;1-2/h8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3
InChIKeyBKVMRYAFRZZLMC-UHFFFAOYSA-N
XLogP5.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine (CID 157380626) is ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine is CC.CC(C)C1CCOCC1.CC1CCC(N(C)C)CC1.
What is the InChIKey of ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is BKVMRYAFRZZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H16O.C2H6/c1-8-4-6-9(7-5-8)10(2)3;1-7(2)8-3-5-9-6-4-8;1-2/h8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine?
ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yloxane;N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 157380626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).