3-methoxy-7-methyl-N-propyloctan-4-amine

C13H29NO — CID 116715914

IUPAC3-methoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)C)C(CC)OC
InChIInChI=1S/C13H29NO/c1-6-10-14-12(9-8-11(3)4)13(7-2)15-5/h11-14H,6-10H2,1-5H3
InChIKeyABUIUFZFCBKTJU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds9

About 3-methoxy-7-methyl-N-propyloctan-4-amine

3-methoxy-7-methyl-N-propyloctan-4-amine (PubChem CID 116715914) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-methoxy-7-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3-methoxy-7-methyl-N-propyloctan-4-amine
PubChem CID116715914
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-methoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)C)C(CC)OC
InChIInChI=1S/C13H29NO/c1-6-10-14-12(9-8-11(3)4)13(7-2)15-5/h11-14H,6-10H2,1-5H3
InChIKeyABUIUFZFCBKTJU-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-7-methyl-N-propyloct-7-en-4-amine
CID 114475941
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
3-ethyl-5-methoxy-N-propylheptan-4-amine
CID 116716139
N-ethyl-3-methoxynonan-4-amine
CID 116715626
N-ethyl-5-methoxy-2-methylheptan-4-amine
CID 116715625
1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine
CID 112743726
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
CID 107869654
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
5-methoxy-N-propyloct-1-yn-4-amine
CID 116719359
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-methyl-N-propyloctan-4-amine?
The IUPAC name of 3-methoxy-7-methyl-N-propyloctan-4-amine (CID 116715914) is 3-methoxy-7-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 3-methoxy-7-methyl-N-propyloctan-4-amine?
The canonical SMILES for 3-methoxy-7-methyl-N-propyloctan-4-amine is CCCNC(CCC(C)C)C(CC)OC.
What is the InChIKey of 3-methoxy-7-methyl-N-propyloctan-4-amine?
The InChIKey is ABUIUFZFCBKTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-10-14-12(9-8-11(3)4)13(7-2)15-5/h11-14H,6-10H2,1-5H3.
What are the key properties of 3-methoxy-7-methyl-N-propyloctan-4-amine?
3-methoxy-7-methyl-N-propyloctan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 116715914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).