6-methoxy-N,3,6-trimethylheptan-2-amine

C11H25NO — CID 103034556

IUPAC6-methoxy-N,3,6-trimethylheptan-2-amine
SMILESCNC(C)C(C)CCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-9(10(2)12-5)7-8-11(3,4)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeyDWZZIQBMRHDOIP-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds6

About 6-methoxy-N,3,6-trimethylheptan-2-amine

6-methoxy-N,3,6-trimethylheptan-2-amine (PubChem CID 103034556) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-methoxy-N,3,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name6-methoxy-N,3,6-trimethylheptan-2-amine
PubChem CID103034556
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-methoxy-N,3,6-trimethylheptan-2-amine
SMILESCNC(C)C(C)CCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-9(10(2)12-5)7-8-11(3,4)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeyDWZZIQBMRHDOIP-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Aranthol
CID 28255
Aranthol hydrochloride
CID 28254
Hexylamine, 5-methoxy-N,1,5-trimethyl-, hydrochloride
CID 44690
2-Heptanol, 2,4-dimethyl-6-methylamino-, hydrochloride
CID 44789
2,5-Dimethyl-6-(methylamino)heptan-2-ol--hydrogen chloride (1/1)
CID 44791
2-methoxy-N,2,7-trimethyloctan-4-amine
CID 103025053
2-methoxy-2,7-dimethyl-N-propyloctan-4-amine
CID 103025055
2-methoxy-N,2,6-trimethyloctan-4-amine
CID 103025135
2-methoxy-2,6-dimethyl-N-propyloctan-4-amine
CID 103025138
5-ethyl-2-methoxy-N,2-dimethylheptan-4-amine
CID 103028578
N,5-diethyl-2-methoxy-2-methylheptan-4-amine
CID 103028580
5-ethyl-2-methoxy-2-methyl-N-propylheptan-4-amine
CID 103028581

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,3,6-trimethylheptan-2-amine?
The IUPAC name of 6-methoxy-N,3,6-trimethylheptan-2-amine (CID 103034556) is 6-methoxy-N,3,6-trimethylheptan-2-amine.
What is the SMILES notation for 6-methoxy-N,3,6-trimethylheptan-2-amine?
The canonical SMILES for 6-methoxy-N,3,6-trimethylheptan-2-amine is CNC(C)C(C)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,3,6-trimethylheptan-2-amine?
The InChIKey is DWZZIQBMRHDOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(10(2)12-5)7-8-11(3,4)13-6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 6-methoxy-N,3,6-trimethylheptan-2-amine?
6-methoxy-N,3,6-trimethylheptan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,3,6-trimethylheptan-2-amine is sourced from PubChem (CID 103034556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).