5-methoxy-3,5-dimethyl-N-propylhexan-2-amine

C12H27NO — CID 66438103

IUPAC5-methoxy-3,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(C)C(C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-8-13-11(3)10(2)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyVETHVNNMSSRSNX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds7

About 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine

5-methoxy-3,5-dimethyl-N-propylhexan-2-amine (PubChem CID 66438103) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name5-methoxy-3,5-dimethyl-N-propylhexan-2-amine
PubChem CID66438103
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-methoxy-3,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(C)C(C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-8-13-11(3)10(2)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyVETHVNNMSSRSNX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine?
The IUPAC name of 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine (CID 66438103) is 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine?
The canonical SMILES for 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine is CCCNC(C)C(C)CC(C)(C)OC.
What is the InChIKey of 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine?
The InChIKey is VETHVNNMSSRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-8-13-11(3)10(2)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine?
5-methoxy-3,5-dimethyl-N-propylhexan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,5-dimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 66438103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).