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

C14H31NO — CID 79198397

IUPAC2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CC(C)CCC)C(C)(C)OC
InChIInChI=1S/C14H31NO/c1-7-9-12(3)11-13(15-10-8-2)14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyYOBBFQFDMNCGIL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds9

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

2-methoxy-2,5-dimethyl-N-propyloctan-3-amine (PubChem CID 79198397) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
PubChem CID79198397
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CC(C)CCC)C(C)(C)OC
InChIInChI=1S/C14H31NO/c1-7-9-12(3)11-13(15-10-8-2)14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyYOBBFQFDMNCGIL-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2,5-dimethyl-2-methylsulfonyl-N-propyloctan-3-amine
CID 115845249
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392
2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine
CID 64769158
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 114228461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine?
The IUPAC name of 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine (CID 79198397) is 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine.
What is the SMILES notation for 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine?
The canonical SMILES for 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine is CCCNC(CC(C)CCC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine?
The InChIKey is YOBBFQFDMNCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-9-12(3)11-13(15-10-8-2)14(4,5)16-6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine?
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,5-dimethyl-N-propyloctan-3-amine is sourced from PubChem (CID 79198397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).