1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine

C15H30N2O — CID 174251016

IUPAC1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine
SMILESCOC1=C(C(C)C)[C@@H](C)C[C@H](NNC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-10(2)15-12(5)9-13(17-16-11(3)4)7-8-14(15)18-6/h10-13,16-17H,7-9H2,1-6H3/t12-,13+/m0/s1
InChIKeyZIEUFKDOKWMCMU-QWHCGFSZSA-N
MW254.42 g/mol
LogP3.23
Rot. Bonds5

About 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine

1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine (PubChem CID 174251016) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine.

Molecular Properties

Compound Name1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine
PubChem CID174251016
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine
SMILESCOC1=C(C(C)C)[C@@H](C)C[C@H](NNC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-10(2)15-12(5)9-13(17-16-11(3)4)7-8-14(15)18-6/h10-13,16-17H,7-9H2,1-6H3/t12-,13+/m0/s1
InChIKeyZIEUFKDOKWMCMU-QWHCGFSZSA-N
XLogP3.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine?
The IUPAC name of 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine (CID 174251016) is 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine.
What is the SMILES notation for 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine?
The canonical SMILES for 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine is COC1=C(C(C)C)[C@@H](C)C[C@H](NNC(C)C)CC1.
What is the InChIKey of 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine?
The InChIKey is ZIEUFKDOKWMCMU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)15-12(5)9-13(17-16-11(3)4)7-8-14(15)18-6/h10-13,16-17H,7-9H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine?
1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine has a molecular weight of 254.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-5-methoxy-3-methyl-4-propan-2-ylcyclohept-4-en-1-yl]-2-propan-2-ylhydrazine is sourced from PubChem (CID 174251016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).