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

C12H27NO — CID 103024809

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

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

5-methoxy-2,5-dimethyl-N-propylhexan-3-amine (PubChem CID 103024809) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
PubChem CID103024809
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CC(C)(C)OC)C(C)C
InChIInChI=1S/C12H27NO/c1-7-8-13-11(10(2)3)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyYXISEHJFJXUDOC-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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Related Compounds

1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676429
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
CID 114476002
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine?
The IUPAC name of 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine (CID 103024809) is 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine.
What is the SMILES notation for 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine?
The canonical SMILES for 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine is CCCNC(CC(C)(C)OC)C(C)C.
What is the InChIKey of 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine?
The InChIKey is YXISEHJFJXUDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-8-13-11(10(2)3)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 5-methoxy-2,5-dimethyl-N-propylhexan-3-amine?
5-methoxy-2,5-dimethyl-N-propylhexan-3-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-2,5-dimethyl-N-propylhexan-3-amine is sourced from PubChem (CID 103024809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).