6-methoxy-6-methyl-N-propylheptan-2-amine

C12H27NO — CID 103034543

IUPAC6-methoxy-6-methyl-N-propylheptan-2-amine
SMILESCCCNC(C)CCCC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-10-13-11(2)8-7-9-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyNXGSSVDYOCNWIW-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About 6-methoxy-6-methyl-N-propylheptan-2-amine

6-methoxy-6-methyl-N-propylheptan-2-amine (PubChem CID 103034543) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 6-methoxy-6-methyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name6-methoxy-6-methyl-N-propylheptan-2-amine
PubChem CID103034543
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name6-methoxy-6-methyl-N-propylheptan-2-amine
SMILESCCCNC(C)CCCC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-10-13-11(2)8-7-9-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyNXGSSVDYOCNWIW-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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
6-(Cycloheptylamino)-2-methyl-2-heptanol
CID 2846702
N-ethyl-1,1,1-trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103031103
(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol
CID 7047576
N-ethyl-2-methoxy-2-methyltridecan-4-amine
CID 103025039
2-methoxy-2-methyl-N-propyltridecan-4-amine
CID 103025040
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042
N-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103025050
2-methoxy-2,7-dimethyl-N-propyloctan-4-amine
CID 103025055
N-ethyl-2-methoxy-2-methyldodecan-4-amine
CID 103025058

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-N-propylheptan-2-amine?
The IUPAC name of 6-methoxy-6-methyl-N-propylheptan-2-amine (CID 103034543) is 6-methoxy-6-methyl-N-propylheptan-2-amine.
What is the SMILES notation for 6-methoxy-6-methyl-N-propylheptan-2-amine?
The canonical SMILES for 6-methoxy-6-methyl-N-propylheptan-2-amine is CCCNC(C)CCCC(C)(C)OC.
What is the InChIKey of 6-methoxy-6-methyl-N-propylheptan-2-amine?
The InChIKey is NXGSSVDYOCNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10-13-11(2)8-7-9-12(3,4)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of 6-methoxy-6-methyl-N-propylheptan-2-amine?
6-methoxy-6-methyl-N-propylheptan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-N-propylheptan-2-amine is sourced from PubChem (CID 103034543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).