6-methoxy-6-methyl-N-propylhept-1-en-4-amine

C12H25NO — CID 103024965

IUPAC6-methoxy-6-methyl-N-propylhept-1-en-4-amine
SMILESC=CCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C12H25NO/c1-6-8-11(13-9-7-2)10-12(3,4)14-5/h6,11,13H,1,7-10H2,2-5H3
InChIKeyWNOCIZHVXDGAFN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds8

About 6-methoxy-6-methyl-N-propylhept-1-en-4-amine

6-methoxy-6-methyl-N-propylhept-1-en-4-amine (PubChem CID 103024965) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-methoxy-6-methyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name6-methoxy-6-methyl-N-propylhept-1-en-4-amine
PubChem CID103024965
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-methoxy-6-methyl-N-propylhept-1-en-4-amine
SMILESC=CCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C12H25NO/c1-6-8-11(13-9-7-2)10-12(3,4)14-5/h6,11,13H,1,7-10H2,2-5H3
InChIKeyWNOCIZHVXDGAFN-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
CID 43146954
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
1-methoxy-N-methylhept-6-en-3-amine
CID 64297004
N-ethyl-1-methoxyhept-6-en-3-amine
CID 64297218
1-methoxy-N-propylhept-6-en-3-amine
CID 64297220
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
N-ethyl-2-methoxy-2-methylhex-5-en-3-amine
CID 79196992
2-methoxy-N,2,5-trimethylhex-5-en-3-amine
CID 79197082
N-ethyl-2-methoxy-2,5-dimethylhex-5-en-3-amine
CID 79197328
2-Methoxy-2-methylhept-6-en-3-amine
CID 79197423
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-N-propylhept-1-en-4-amine?
The IUPAC name of 6-methoxy-6-methyl-N-propylhept-1-en-4-amine (CID 103024965) is 6-methoxy-6-methyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 6-methoxy-6-methyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 6-methoxy-6-methyl-N-propylhept-1-en-4-amine is C=CCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 6-methoxy-6-methyl-N-propylhept-1-en-4-amine?
The InChIKey is WNOCIZHVXDGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-11(13-9-7-2)10-12(3,4)14-5/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of 6-methoxy-6-methyl-N-propylhept-1-en-4-amine?
6-methoxy-6-methyl-N-propylhept-1-en-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 103024965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).