5-methylidene-1-propoxyheptan-3-amine

C11H23NO — CID 105163948

IUPAC5-methylidene-1-propoxyheptan-3-amine
SMILESC=C(CC)CC(N)CCOCCC
InChIInChI=1S/C11H23NO/c1-4-7-13-8-6-11(12)9-10(3)5-2/h11H,3-9,12H2,1-2H3
InChIKeyYLPIUFZENQBKBZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds8

About 5-methylidene-1-propoxyheptan-3-amine

5-methylidene-1-propoxyheptan-3-amine (PubChem CID 105163948) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-methylidene-1-propoxyheptan-3-amine.

Molecular Properties

Compound Name5-methylidene-1-propoxyheptan-3-amine
PubChem CID105163948
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-methylidene-1-propoxyheptan-3-amine
SMILESC=C(CC)CC(N)CCOCCC
InChIInChI=1S/C11H23NO/c1-4-7-13-8-6-11(12)9-10(3)5-2/h11H,3-9,12H2,1-2H3
InChIKeyYLPIUFZENQBKBZ-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
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 5-methylidene-1-propoxyheptan-3-amine?
The IUPAC name of 5-methylidene-1-propoxyheptan-3-amine (CID 105163948) is 5-methylidene-1-propoxyheptan-3-amine.
What is the SMILES notation for 5-methylidene-1-propoxyheptan-3-amine?
The canonical SMILES for 5-methylidene-1-propoxyheptan-3-amine is C=C(CC)CC(N)CCOCCC.
What is the InChIKey of 5-methylidene-1-propoxyheptan-3-amine?
The InChIKey is YLPIUFZENQBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-13-8-6-11(12)9-10(3)5-2/h11H,3-9,12H2,1-2H3.
What are the key properties of 5-methylidene-1-propoxyheptan-3-amine?
5-methylidene-1-propoxyheptan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-propoxyheptan-3-amine is sourced from PubChem (CID 105163948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).