3-methoxy-7-methyl-N-propyloct-7-en-4-amine

C13H27NO — CID 114475941

IUPAC3-methoxy-7-methyl-N-propyloct-7-en-4-amine
SMILESC=C(C)CCC(NCCC)C(CC)OC
InChIInChI=1S/C13H27NO/c1-6-10-14-12(9-8-11(3)4)13(7-2)15-5/h12-14H,3,6-10H2,1-2,4-5H3
InChIKeyXEGHQMKCXIULAU-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds9

About 3-methoxy-7-methyl-N-propyloct-7-en-4-amine

3-methoxy-7-methyl-N-propyloct-7-en-4-amine (PubChem CID 114475941) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methoxy-7-methyl-N-propyloct-7-en-4-amine.

Molecular Properties

Compound Name3-methoxy-7-methyl-N-propyloct-7-en-4-amine
PubChem CID114475941
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methoxy-7-methyl-N-propyloct-7-en-4-amine
SMILESC=C(C)CCC(NCCC)C(CC)OC
InChIInChI=1S/C13H27NO/c1-6-10-14-12(9-8-11(3)4)13(7-2)15-5/h12-14H,3,6-10H2,1-2,4-5H3
InChIKeyXEGHQMKCXIULAU-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
CID 114476002
3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116715914
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
N-ethyl-2-methoxy-6-methylhept-6-en-3-amine
CID 114475383
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
3-ethyl-5-methoxy-N-propylheptan-4-amine
CID 116716139
N-ethyl-3-methoxynonan-4-amine
CID 116715626
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
CID 103559831
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-methyl-N-propyloct-7-en-4-amine?
The IUPAC name of 3-methoxy-7-methyl-N-propyloct-7-en-4-amine (CID 114475941) is 3-methoxy-7-methyl-N-propyloct-7-en-4-amine.
What is the SMILES notation for 3-methoxy-7-methyl-N-propyloct-7-en-4-amine?
The canonical SMILES for 3-methoxy-7-methyl-N-propyloct-7-en-4-amine is C=C(C)CCC(NCCC)C(CC)OC.
What is the InChIKey of 3-methoxy-7-methyl-N-propyloct-7-en-4-amine?
The InChIKey is XEGHQMKCXIULAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-10-14-12(9-8-11(3)4)13(7-2)15-5/h12-14H,3,6-10H2,1-2,4-5H3.
What are the key properties of 3-methoxy-7-methyl-N-propyloct-7-en-4-amine?
3-methoxy-7-methyl-N-propyloct-7-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 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-propyloct-7-en-4-amine is sourced from PubChem (CID 114475941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).