7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine

C12H25NO — CID 105163264

IUPAC7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)CCCOCC
InChIInChI=1S/C12H25NO/c1-5-13-12(10-11(3)4)8-7-9-14-6-2/h10,12-13H,5-9H2,1-4H3
InChIKeyMBHHBRLXDLHVTD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds8

About 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine

7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine (PubChem CID 105163264) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine.

Molecular Properties

Compound Name7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine
PubChem CID105163264
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)CCCOCC
InChIInChI=1S/C12H25NO/c1-5-13-12(10-11(3)4)8-7-9-14-6-2/h10,12-13H,5-9H2,1-4H3
InChIKeyMBHHBRLXDLHVTD-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
1-ethoxy-N,5-dimethylhex-4-en-3-amine
CID 105163329
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
1-ethoxy-N,5-diethylheptan-4-amine
CID 105168474
(1-ethoxy-4-methylpent-3-en-2-yl)hydrazine
CID 105235434
N-(5-ethoxypentan-2-yl)acetamide
CID 89138295
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
1-cyclohexyl-N-ethyl-4-methylpent-3-en-2-amine
CID 105004573
5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
6-ethoxy-3-ethylhexan-2-one
CID 65180817
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol
CID 123353175

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine?
The IUPAC name of 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine (CID 105163264) is 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine.
What is the SMILES notation for 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine?
The canonical SMILES for 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine is CCNC(C=C(C)C)CCCOCC.
What is the InChIKey of 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine?
The InChIKey is MBHHBRLXDLHVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-12(10-11(3)4)8-7-9-14-6-2/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine?
7-ethoxy-N-ethyl-2-methylhept-2-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 7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine is sourced from PubChem (CID 105163264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).