2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine

C12H22N2O — CID 170449648

IUPAC2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine
SMILESC=CC(=C(C)C)N(NC)C1CCCCO1
InChIInChI=1S/C12H22N2O/c1-5-11(10(2)3)14(13-4)12-8-6-7-9-15-12/h5,12-13H,1,6-9H2,2-4H3
InChIKeyCCWDPHTZCDFTJG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.43
Rot. Bonds4

About 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine

2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine (PubChem CID 170449648) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine
PubChem CID170449648
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine
SMILESC=CC(=C(C)C)N(NC)C1CCCCO1
InChIInChI=1S/C12H22N2O/c1-5-11(10(2)3)14(13-4)12-8-6-7-9-15-12/h5,12-13H,1,6-9H2,2-4H3
InChIKeyCCWDPHTZCDFTJG-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine?
The IUPAC name of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine (CID 170449648) is 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine.
What is the SMILES notation for 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine?
The canonical SMILES for 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine is C=CC(=C(C)C)N(NC)C1CCCCO1.
What is the InChIKey of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine?
The InChIKey is CCWDPHTZCDFTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-11(10(2)3)14(13-4)12-8-6-7-9-15-12/h5,12-13H,1,6-9H2,2-4H3.
What are the key properties of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine?
2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine has a molecular weight of 210.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)-1-(oxan-2-yl)hydrazine is sourced from PubChem (CID 170449648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).