(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine

C12H25NO — CID 103392092

IUPAC(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
SMILESCCC(/C=C(/CCCN)COC)CC
InChIInChI=1S/C12H25NO/c1-4-11(5-2)9-12(10-14-3)7-6-8-13/h9,11H,4-8,10,13H2,1-3H3/b12-9-
InChIKeyVOOXRJYZMXPFRN-XFXZXTDPSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine

(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine (PubChem CID 103392092) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine.

Molecular Properties

Compound Name(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
PubChem CID103392092
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
SMILESCCC(/C=C(/CCCN)COC)CC
InChIInChI=1S/C12H25NO/c1-4-11(5-2)9-12(10-14-3)7-6-8-13/h9,11H,4-8,10,13H2,1-3H3/b12-9-
InChIKeyVOOXRJYZMXPFRN-XFXZXTDPSA-N
XLogP2.73
TPSA35.25 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 ≤ 52.73
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

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
5-(3,3-Difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 114225487
(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine
CID 89244778
2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
CID 129253890
[(1S,4S)-2-(methoxymethyl)-4-methylcyclohex-2-en-1-yl]methanamine
CID 131971212
2-(4,5-Dimethoxy-2-methylcyclohexa-2,4-dien-1-yl)ethanamine
CID 135214249
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
3-Cyclopropyl-4-methoxybut-2-en-1-amine
CID 80410599
4-(Methoxymethyl)-5-methylhex-3-en-1-amine
CID 80410630
4-Cyclopropyl-5-methoxypent-3-en-1-amine
CID 80410631

Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine?
The IUPAC name of (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine (CID 103392092) is (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine.
What is the SMILES notation for (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine?
The canonical SMILES for (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine is CCC(/C=C(/CCCN)COC)CC.
What is the InChIKey of (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine?
The InChIKey is VOOXRJYZMXPFRN-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(5-2)9-12(10-14-3)7-6-8-13/h9,11H,4-8,10,13H2,1-3H3/b12-9-.
What are the key properties of (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine?
(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine is sourced from PubChem (CID 103392092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).