5-methyl-1-(oxan-2-yl)hex-5-en-3-amine

C12H23NO — CID 105003984

IUPAC5-methyl-1-(oxan-2-yl)hex-5-en-3-amine
SMILESC=C(C)CC(N)CCC1CCCCO1
InChIInChI=1S/C12H23NO/c1-10(2)9-11(13)6-7-12-5-3-4-8-14-12/h11-12H,1,3-9,13H2,2H3
InChIKeyZJWWHWVBCNRAGC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds5

About 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine

5-methyl-1-(oxan-2-yl)hex-5-en-3-amine (PubChem CID 105003984) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)hex-5-en-3-amine
PubChem CID105003984
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-methyl-1-(oxan-2-yl)hex-5-en-3-amine
SMILESC=C(C)CC(N)CCC1CCCCO1
InChIInChI=1S/C12H23NO/c1-10(2)9-11(13)6-7-12-5-3-4-8-14-12/h11-12H,1,3-9,13H2,2H3
InChIKeyZJWWHWVBCNRAGC-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine?
The IUPAC name of 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine (CID 105003984) is 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine is C=C(C)CC(N)CCC1CCCCO1.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine?
The InChIKey is ZJWWHWVBCNRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-11(13)6-7-12-5-3-4-8-14-12/h11-12H,1,3-9,13H2,2H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine?
5-methyl-1-(oxan-2-yl)hex-5-en-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-2-yl)hex-5-en-3-amine is sourced from PubChem (CID 105003984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).