6-methyl-1-(oxan-2-yl)hept-6-en-3-amine

C13H25NO — CID 105039405

IUPAC6-methyl-1-(oxan-2-yl)hept-6-en-3-amine
SMILESC=C(C)CCC(N)CCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-11(2)6-7-12(14)8-9-13-5-3-4-10-15-13/h12-13H,1,3-10,14H2,2H3
InChIKeyHXPUDDXSUDFSEA-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.02
Rot. Bonds6

About 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine

6-methyl-1-(oxan-2-yl)hept-6-en-3-amine (PubChem CID 105039405) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine.

Molecular Properties

Compound Name6-methyl-1-(oxan-2-yl)hept-6-en-3-amine
PubChem CID105039405
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name6-methyl-1-(oxan-2-yl)hept-6-en-3-amine
SMILESC=C(C)CCC(N)CCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-11(2)6-7-12(14)8-9-13-5-3-4-10-15-13/h12-13H,1,3-10,14H2,2H3
InChIKeyHXPUDDXSUDFSEA-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

(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 67095695
6-(2-Prop-1-en-2-ylcyclopropyl)oxan-3-amine
CID 166750173
1-(3,4-dihydro-2H-pyran-5-yl)butan-2-amine
CID 55253626
1-(Cyclohexen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953140
1-(Cyclopenten-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953543
1-(Cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953750
1-(Cyclohexen-1-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65156794
2-Ethoxy-5-methylideneheptan-3-amine
CID 66037098
3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
1-Methoxy-6-methylideneoctan-4-amine
CID 66038527
1-(1,4-Dioxan-2-yl)-3-methylidenepentan-1-amine
CID 66038530

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine?
The IUPAC name of 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine (CID 105039405) is 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine.
What is the SMILES notation for 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine?
The canonical SMILES for 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine is C=C(C)CCC(N)CCC1CCCCO1.
What is the InChIKey of 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine?
The InChIKey is HXPUDDXSUDFSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-7-12(14)8-9-13-5-3-4-10-15-13/h12-13H,1,3-10,14H2,2H3.
What are the key properties of 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine?
6-methyl-1-(oxan-2-yl)hept-6-en-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 6-methyl-1-(oxan-2-yl)hept-6-en-3-amine is sourced from PubChem (CID 105039405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).