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

C13H27NO — CID 116758336

IUPAC3-methoxy-3-methyl-N-propyloct-7-en-4-amine
SMILESC=CCCC(NCCC)C(C)(CC)OC
InChIInChI=1S/C13H27NO/c1-6-9-10-12(14-11-7-2)13(4,8-3)15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeyRQXLVZSVCPDGIP-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds9

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

3-methoxy-3-methyl-N-propyloct-7-en-4-amine (PubChem CID 116758336) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propyloct-7-en-4-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propyloct-7-en-4-amine
PubChem CID116758336
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methoxy-3-methyl-N-propyloct-7-en-4-amine
SMILESC=CCCC(NCCC)C(C)(CC)OC
InChIInChI=1S/C13H27NO/c1-6-9-10-12(14-11-7-2)13(4,8-3)15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeyRQXLVZSVCPDGIP-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-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
CID 116758190
2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
1-tert-butylsulfanyl-N-propylhex-5-en-2-amine
CID 65132303
3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79061629
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79067335
N,3,3-trimethyloct-7-en-4-amine
CID 104987331

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propyloct-7-en-4-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propyloct-7-en-4-amine (CID 116758336) is 3-methoxy-3-methyl-N-propyloct-7-en-4-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propyloct-7-en-4-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propyloct-7-en-4-amine is C=CCCC(NCCC)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-propyloct-7-en-4-amine?
The InChIKey is RQXLVZSVCPDGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-10-12(14-11-7-2)13(4,8-3)15-5/h6,12,14H,1,7-11H2,2-5H3.
What are the key properties of 3-methoxy-3-methyl-N-propyloct-7-en-4-amine?
3-methoxy-3-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-3-methyl-N-propyloct-7-en-4-amine is sourced from PubChem (CID 116758336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).