1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine

C19H40N2 — CID 163554746

IUPAC1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine
SMILESCCCCCCCCN(C1CC[C@H](C)C1)N(C)CCCC
InChIInChI=1S/C19H40N2/c1-5-7-9-10-11-12-16-21(20(4)15-8-6-2)19-14-13-18(3)17-19/h18-19H,5-17H2,1-4H3/t18-,19?/m0/s1
InChIKeyFMBSEONAZAOGHK-OYKVQYDMSA-N
MW296.54 g/mol
LogP5.48
Rot. Bonds12

About 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine

1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine (PubChem CID 163554746) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine.

Molecular Properties

Compound Name1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine
PubChem CID163554746
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine
SMILESCCCCCCCCN(C1CC[C@H](C)C1)N(C)CCCC
InChIInChI=1S/C19H40N2/c1-5-7-9-10-11-12-16-21(20(4)15-8-6-2)19-14-13-18(3)17-19/h18-19H,5-17H2,1-4H3/t18-,19?/m0/s1
InChIKeyFMBSEONAZAOGHK-OYKVQYDMSA-N
XLogP5.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine?
The IUPAC name of 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine (CID 163554746) is 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine.
What is the SMILES notation for 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine?
The canonical SMILES for 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine is CCCCCCCCN(C1CC[C@H](C)C1)N(C)CCCC.
What is the InChIKey of 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine?
The InChIKey is FMBSEONAZAOGHK-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-7-9-10-11-12-16-21(20(4)15-8-6-2)19-14-13-18(3)17-19/h18-19H,5-17H2,1-4H3/t18-,19?/m0/s1.
What are the key properties of 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine?
1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine has a molecular weight of 296.54 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-2-[(3S)-3-methylcyclopentyl]-2-octylhydrazine is sourced from PubChem (CID 163554746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).