1-ethoxy-5-methylideneheptan-3-amine

C10H21NO — CID 105164114

IUPAC1-ethoxy-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(N)CCOCC
InChIInChI=1S/C10H21NO/c1-4-9(3)8-10(11)6-7-12-5-2/h10H,3-8,11H2,1-2H3
InChIKeyLELWPAQDMDIXLI-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds7

About 1-ethoxy-5-methylideneheptan-3-amine

1-ethoxy-5-methylideneheptan-3-amine (PubChem CID 105164114) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-ethoxy-5-methylideneheptan-3-amine.

Molecular Properties

Compound Name1-ethoxy-5-methylideneheptan-3-amine
PubChem CID105164114
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-ethoxy-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(N)CCOCC
InChIInChI=1S/C10H21NO/c1-4-9(3)8-10(11)6-7-12-5-2/h10H,3-8,11H2,1-2H3
InChIKeyLELWPAQDMDIXLI-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-amine
CID 103148814
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-amine
CID 103148956
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-amine
CID 103149006
1-(2,2-difluoroethoxy)-N-methyl-5-methylideneheptan-3-amine
CID 103149287
1-(2,2-difluoroethoxy)-N,6-dimethylhept-6-en-3-amine
CID 103149334
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methylideneheptan-3-amine?
The IUPAC name of 1-ethoxy-5-methylideneheptan-3-amine (CID 105164114) is 1-ethoxy-5-methylideneheptan-3-amine.
What is the SMILES notation for 1-ethoxy-5-methylideneheptan-3-amine?
The canonical SMILES for 1-ethoxy-5-methylideneheptan-3-amine is C=C(CC)CC(N)CCOCC.
What is the InChIKey of 1-ethoxy-5-methylideneheptan-3-amine?
The InChIKey is LELWPAQDMDIXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-9(3)8-10(11)6-7-12-5-2/h10H,3-8,11H2,1-2H3.
What are the key properties of 1-ethoxy-5-methylideneheptan-3-amine?
1-ethoxy-5-methylideneheptan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methylideneheptan-3-amine is sourced from PubChem (CID 105164114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).