5-methylidene-1-(oxan-2-yl)heptan-3-amine

C13H25NO — CID 105005878

IUPAC5-methylidene-1-(oxan-2-yl)heptan-3-amine
SMILESC=C(CC)CC(N)CCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-3-11(2)10-12(14)7-8-13-6-4-5-9-15-13/h12-13H,2-10,14H2,1H3
InChIKeyMEZQSHYTJWWJIL-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.02
Rot. Bonds6

About 5-methylidene-1-(oxan-2-yl)heptan-3-amine

5-methylidene-1-(oxan-2-yl)heptan-3-amine (PubChem CID 105005878) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methylidene-1-(oxan-2-yl)heptan-3-amine.

Molecular Properties

Compound Name5-methylidene-1-(oxan-2-yl)heptan-3-amine
PubChem CID105005878
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-methylidene-1-(oxan-2-yl)heptan-3-amine
SMILESC=C(CC)CC(N)CCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-3-11(2)10-12(14)7-8-13-6-4-5-9-15-13/h12-13H,2-10,14H2,1H3
InChIKeyMEZQSHYTJWWJIL-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.02
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

1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(oxan-2-yl)nonan-3-amine
CID 115833397
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
CID 104990860
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
[4-methylidene-1-(oxolan-2-yl)hexan-2-yl]hydrazine
CID 105198742
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(oxan-2-yl)heptan-3-amine?
The IUPAC name of 5-methylidene-1-(oxan-2-yl)heptan-3-amine (CID 105005878) is 5-methylidene-1-(oxan-2-yl)heptan-3-amine.
What is the SMILES notation for 5-methylidene-1-(oxan-2-yl)heptan-3-amine?
The canonical SMILES for 5-methylidene-1-(oxan-2-yl)heptan-3-amine is C=C(CC)CC(N)CCC1CCCCO1.
What is the InChIKey of 5-methylidene-1-(oxan-2-yl)heptan-3-amine?
The InChIKey is MEZQSHYTJWWJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(2)10-12(14)7-8-13-6-4-5-9-15-13/h12-13H,2-10,14H2,1H3.
What are the key properties of 5-methylidene-1-(oxan-2-yl)heptan-3-amine?
5-methylidene-1-(oxan-2-yl)heptan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(oxan-2-yl)heptan-3-amine is sourced from PubChem (CID 105005878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).