4-(methoxymethyl)-6-methylhept-4-en-1-amine

C10H21NO — CID 103392068

IUPAC4-(methoxymethyl)-6-methylhept-4-en-1-amine
SMILESCOCC(=CC(C)C)CCCN
InChIInChI=1S/C10H21NO/c1-9(2)7-10(8-12-3)5-4-6-11/h7,9H,4-6,8,11H2,1-3H3
InChIKeyDEDSUIGYFKRENM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds6

About 4-(methoxymethyl)-6-methylhept-4-en-1-amine

4-(methoxymethyl)-6-methylhept-4-en-1-amine (PubChem CID 103392068) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methylhept-4-en-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methylhept-4-en-1-amine
PubChem CID103392068
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(methoxymethyl)-6-methylhept-4-en-1-amine
SMILESCOCC(=CC(C)C)CCCN
InChIInChI=1S/C10H21NO/c1-9(2)7-10(8-12-3)5-4-6-11/h7,9H,4-6,8,11H2,1-3H3
InChIKeyDEDSUIGYFKRENM-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 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 ≤ 51.95
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

(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
4-(methoxymethyl)non-4-en-8-yn-1-amine
CID 103392158
(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine
CID 103392141
(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392108
(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
CID 103392227
5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392229
(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392189
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
4-(3-aminopropyl)oct-4-ene-1,8-diamine
CID 20545797
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methylhept-4-en-1-amine?
The IUPAC name of 4-(methoxymethyl)-6-methylhept-4-en-1-amine (CID 103392068) is 4-(methoxymethyl)-6-methylhept-4-en-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-6-methylhept-4-en-1-amine?
The canonical SMILES for 4-(methoxymethyl)-6-methylhept-4-en-1-amine is COCC(=CC(C)C)CCCN.
What is the InChIKey of 4-(methoxymethyl)-6-methylhept-4-en-1-amine?
The InChIKey is DEDSUIGYFKRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)7-10(8-12-3)5-4-6-11/h7,9H,4-6,8,11H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-6-methylhept-4-en-1-amine?
4-(methoxymethyl)-6-methylhept-4-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methylhept-4-en-1-amine is sourced from PubChem (CID 103392068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).