1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine

C18H34N2 — CID 70973533

IUPAC1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine
SMILESCC[C@@H](C)CN(N)C(C)(CC)C1=CCC(C(C)C)C=C1
InChIInChI=1S/C18H34N2/c1-7-15(5)13-20(19)18(6,8-2)17-11-9-16(10-12-17)14(3)4/h9,11-12,14-16H,7-8,10,13,19H2,1-6H3/t15-,16?,18?/m1/s1
InChIKeyRMKFJNPJXZCMIQ-KLHKWILBSA-N
MW278.48 g/mol
LogP4.54
Rot. Bonds7

About 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine

1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine (PubChem CID 70973533) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine
PubChem CID70973533
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine
SMILESCC[C@@H](C)CN(N)C(C)(CC)C1=CCC(C(C)C)C=C1
InChIInChI=1S/C18H34N2/c1-7-15(5)13-20(19)18(6,8-2)17-11-9-16(10-12-17)14(3)4/h9,11-12,14-16H,7-8,10,13,19H2,1-6H3/t15-,16?,18?/m1/s1
InChIKeyRMKFJNPJXZCMIQ-KLHKWILBSA-N
XLogP4.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine?
The IUPAC name of 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine (CID 70973533) is 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine.
What is the SMILES notation for 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine?
The canonical SMILES for 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine is CC[C@@H](C)CN(N)C(C)(CC)C1=CCC(C(C)C)C=C1.
What is the InChIKey of 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine?
The InChIKey is RMKFJNPJXZCMIQ-KLHKWILBSA-N. The full InChI is InChI=1S/C18H34N2/c1-7-15(5)13-20(19)18(6,8-2)17-11-9-16(10-12-17)14(3)4/h9,11-12,14-16H,7-8,10,13,19H2,1-6H3/t15-,16?,18?/m1/s1.
What are the key properties of 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine?
1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine has a molecular weight of 278.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 70973533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).