5-methoxy-5-methyl-N-propylhex-1-en-3-amine

C11H23NO — CID 103028095

IUPAC5-methoxy-5-methyl-N-propylhex-1-en-3-amine
SMILESC=CC(CC(C)(C)OC)NCCC
InChIInChI=1S/C11H23NO/c1-6-8-12-10(7-2)9-11(3,4)13-5/h7,10,12H,2,6,8-9H2,1,3-5H3
InChIKeyBLUOBPAKICXWEH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About 5-methoxy-5-methyl-N-propylhex-1-en-3-amine

5-methoxy-5-methyl-N-propylhex-1-en-3-amine (PubChem CID 103028095) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-methoxy-5-methyl-N-propylhex-1-en-3-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-N-propylhex-1-en-3-amine
PubChem CID103028095
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-methoxy-5-methyl-N-propylhex-1-en-3-amine
SMILESC=CC(CC(C)(C)OC)NCCC
InChIInChI=1S/C11H23NO/c1-6-8-12-10(7-2)9-11(3,4)13-5/h7,10,12H,2,6,8-9H2,1,3-5H3
InChIKeyBLUOBPAKICXWEH-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-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-(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-dimethylhept-6-en-3-amine
CID 79197556
2-methoxy-N,2-dimethylhex-5-en-3-amine
CID 79197791
2-methoxy-2-methyl-N-propylhept-6-en-3-amine
CID 79197937
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
N-ethyl-2-methoxy-2-methylhept-6-en-3-amine
CID 79198617
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964
6-methoxy-6-methyl-N-propylhept-1-en-4-amine
CID 103024965

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-N-propylhex-1-en-3-amine?
The IUPAC name of 5-methoxy-5-methyl-N-propylhex-1-en-3-amine (CID 103028095) is 5-methoxy-5-methyl-N-propylhex-1-en-3-amine.
What is the SMILES notation for 5-methoxy-5-methyl-N-propylhex-1-en-3-amine?
The canonical SMILES for 5-methoxy-5-methyl-N-propylhex-1-en-3-amine is C=CC(CC(C)(C)OC)NCCC.
What is the InChIKey of 5-methoxy-5-methyl-N-propylhex-1-en-3-amine?
The InChIKey is BLUOBPAKICXWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-8-12-10(7-2)9-11(3,4)13-5/h7,10,12H,2,6,8-9H2,1,3-5H3.
What are the key properties of 5-methoxy-5-methyl-N-propylhex-1-en-3-amine?
5-methoxy-5-methyl-N-propylhex-1-en-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-N-propylhex-1-en-3-amine is sourced from PubChem (CID 103028095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).