5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine

C14H29NO — CID 116721629

IUPAC5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(NCCC)C(OCC)C(C)C
InChIInChI=1S/C14H29NO/c1-7-9-15-13(10-11(3)4)14(12(5)6)16-8-2/h12-15H,3,7-10H2,1-2,4-6H3
InChIKeyARKHABUUGBZCOW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds9

About 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine

5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine (PubChem CID 116721629) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
PubChem CID116721629
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(NCCC)C(OCC)C(C)C
InChIInChI=1S/C14H29NO/c1-7-9-15-13(10-11(3)4)14(12(5)6)16-8-2/h12-15H,3,7-10H2,1-2,4-6H3
InChIKeyARKHABUUGBZCOW-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
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-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
CID 116721716
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
CID 114475977
3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 116721212
4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
CID 116721344
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721640
2-ethoxy-N-propylnonan-3-amine
CID 64532611
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
The IUPAC name of 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine (CID 116721629) is 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine is C=C(C)CC(NCCC)C(OCC)C(C)C.
What is the InChIKey of 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
The InChIKey is ARKHABUUGBZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-15-13(10-11(3)4)14(12(5)6)16-8-2/h12-15H,3,7-10H2,1-2,4-6H3.
What are the key properties of 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 116721629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).