3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine

C14H25NO — CID 163977699

IUPAC3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine
SMILESCCCC[C@@H](C)/C=C(C)/C=C(\C)C1OC1N
InChIInChI=1S/C14H25NO/c1-5-6-7-10(2)8-11(3)9-12(4)13-14(15)16-13/h8-10,13-14H,5-7,15H2,1-4H3/b11-8+,12-9+/t10-,13?,14?/m1/s1
InChIKeySVPVWTKNOYLIPU-GTSFXLIZSA-N
MW223.36 g/mol
LogP3.39
Rot. Bonds6

About 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine

3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine (PubChem CID 163977699) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine.

Molecular Properties

Compound Name3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine
PubChem CID163977699
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine
SMILESCCCC[C@@H](C)/C=C(C)/C=C(\C)C1OC1N
InChIInChI=1S/C14H25NO/c1-5-6-7-10(2)8-11(3)9-12(4)13-14(15)16-13/h8-10,13-14H,5-7,15H2,1-4H3/b11-8+,12-9+/t10-,13?,14?/m1/s1
InChIKeySVPVWTKNOYLIPU-GTSFXLIZSA-N
XLogP3.39
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine?
The IUPAC name of 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine (CID 163977699) is 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine.
What is the SMILES notation for 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine?
The canonical SMILES for 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine is CCCC[C@@H](C)/C=C(C)/C=C(\C)C1OC1N.
What is the InChIKey of 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine?
The InChIKey is SVPVWTKNOYLIPU-GTSFXLIZSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-10(2)8-11(3)9-12(4)13-14(15)16-13/h8-10,13-14H,5-7,15H2,1-4H3/b11-8+,12-9+/t10-,13?,14?/m1/s1.
What are the key properties of 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine?
3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine is sourced from PubChem (CID 163977699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).