5-methoxy-N-propylhept-1-en-4-amine

C11H23NO — CID 116715902

IUPAC5-methoxy-N-propylhept-1-en-4-amine
SMILESC=CCC(NCCC)C(CC)OC
InChIInChI=1S/C11H23NO/c1-5-8-10(12-9-6-2)11(7-3)13-4/h5,10-12H,1,6-9H2,2-4H3
InChIKeyTTXZIGLEPAHULE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds8

About 5-methoxy-N-propylhept-1-en-4-amine

5-methoxy-N-propylhept-1-en-4-amine (PubChem CID 116715902) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-methoxy-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name5-methoxy-N-propylhept-1-en-4-amine
PubChem CID116715902
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-methoxy-N-propylhept-1-en-4-amine
SMILESC=CCC(NCCC)C(CC)OC
InChIInChI=1S/C11H23NO/c1-5-8-10(12-9-6-2)11(7-3)13-4/h5,10-12H,1,6-9H2,2-4H3
InChIKeyTTXZIGLEPAHULE-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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-7-methyl-N-propyloctan-4-amine
CID 116715914
3-methoxy-7-methyl-N-propyloct-7-en-4-amine
CID 114475941
5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
CID 116725935
N-propylhepta-1,6-dien-4-amine
CID 88756960
3-ethyl-5-methoxy-N-propylheptan-4-amine
CID 116716139
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
CID 116723819
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propylhept-1-en-4-amine?
The IUPAC name of 5-methoxy-N-propylhept-1-en-4-amine (CID 116715902) is 5-methoxy-N-propylhept-1-en-4-amine.
What is the SMILES notation for 5-methoxy-N-propylhept-1-en-4-amine?
The canonical SMILES for 5-methoxy-N-propylhept-1-en-4-amine is C=CCC(NCCC)C(CC)OC.
What is the InChIKey of 5-methoxy-N-propylhept-1-en-4-amine?
The InChIKey is TTXZIGLEPAHULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8-10(12-9-6-2)11(7-3)13-4/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 5-methoxy-N-propylhept-1-en-4-amine?
5-methoxy-N-propylhept-1-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propylhept-1-en-4-amine is sourced from PubChem (CID 116715902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).