4-ethoxy-N,5-dimethylhex-1-en-3-amine

C10H21NO — CID 116721057

IUPAC4-ethoxy-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(NC)C(OCC)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(11-5)10(8(3)4)12-7-2/h6,8-11H,1,7H2,2-5H3
InChIKeyJPXJFDOMFKIAMK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds6

About 4-ethoxy-N,5-dimethylhex-1-en-3-amine

4-ethoxy-N,5-dimethylhex-1-en-3-amine (PubChem CID 116721057) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-ethoxy-N,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name4-ethoxy-N,5-dimethylhex-1-en-3-amine
PubChem CID116721057
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-ethoxy-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(NC)C(OCC)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(11-5)10(8(3)4)12-7-2/h6,8-11H,1,7H2,2-5H3
InChIKeyJPXJFDOMFKIAMK-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.82
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

4-methoxy-N,5-dimethylhex-1-en-3-amine
CID 116719913
3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 116721212
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918
1-ethoxy-N-methylethanamine
CID 57089902
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
1,1-diethoxy-N,3-dimethylbutan-2-amine
CID 12506255
4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
CID 116721344
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,5-dimethylhex-1-en-3-amine?
The IUPAC name of 4-ethoxy-N,5-dimethylhex-1-en-3-amine (CID 116721057) is 4-ethoxy-N,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for 4-ethoxy-N,5-dimethylhex-1-en-3-amine?
The canonical SMILES for 4-ethoxy-N,5-dimethylhex-1-en-3-amine is C=CC(NC)C(OCC)C(C)C.
What is the InChIKey of 4-ethoxy-N,5-dimethylhex-1-en-3-amine?
The InChIKey is JPXJFDOMFKIAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(11-5)10(8(3)4)12-7-2/h6,8-11H,1,7H2,2-5H3.
What are the key properties of 4-ethoxy-N,5-dimethylhex-1-en-3-amine?
4-ethoxy-N,5-dimethylhex-1-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 116721057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).