[2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine

C19H42N2O — CID 90896178

IUPAC[2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine
SMILESCCC(C)COCC(C)CC(CCCCCCC(C)C)NN
InChIInChI=1S/C19H42N2O/c1-6-17(4)14-22-15-18(5)13-19(21-20)12-10-8-7-9-11-16(2)3/h16-19,21H,6-15,20H2,1-5H3
InChIKeyFKOAWKLUEMLQDN-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.90
Rot. Bonds15

About [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine

[2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine (PubChem CID 90896178) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine.

Molecular Properties

Compound Name[2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine
PubChem CID90896178
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Name[2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine
SMILESCCC(C)COCC(C)CC(CCCCCCC(C)C)NN
InChIInChI=1S/C19H42N2O/c1-6-17(4)14-22-15-18(5)13-19(21-20)12-10-8-7-9-11-16(2)3/h16-19,21H,6-15,20H2,1-5H3
InChIKeyFKOAWKLUEMLQDN-UHFFFAOYSA-N
XLogP4.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[1-(2,2-Difluoroethoxy)-7-methyloctan-3-yl]hydrazine
CID 103151765
(8,8,8-Trifluoro-1-methoxy-2-methyloctan-4-yl)hydrazine
CID 105329042
6-(8-Methylnonoxy)hexane-1,3-diamine
CID 21871800
6-(10-Methylundecoxy)hexane-1,3-diamine
CID 21871801
6-(11-Methyldodecoxy)hexane-1,3-diamine
CID 21871803
[(2S)-1-(oxan-3-yl)propan-2-yl]hydrazine
CID 68857420
4-[2-[3-(1-Aminopropyl)octadecoxy]ethyl]nonadecan-3-amine
CID 88673764
6-(2,4,6-Trimethyldecoxy)hexane-1,3-diamine
CID 91518141
[4-[(4R)-4-(2-ethylhydrazinyl)-3-methylpentyl]oxan-4-yl]methanamine
CID 173764637
[1-(2-Methoxyethoxy)-7-methyloctan-3-yl]hydrazine
CID 102929727
[5-Ethyl-1-(2-methoxyethoxy)nonan-3-yl]hydrazine
CID 102929826

Frequently Asked Questions

What is the IUPAC name of [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine?
The IUPAC name of [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine (CID 90896178) is [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine.
What is the SMILES notation for [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine?
The canonical SMILES for [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine is CCC(C)COCC(C)CC(CCCCCCC(C)C)NN.
What is the InChIKey of [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine?
The InChIKey is FKOAWKLUEMLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-6-17(4)14-22-15-18(5)13-19(21-20)12-10-8-7-9-11-16(2)3/h16-19,21H,6-15,20H2,1-5H3.
What are the key properties of [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine?
[2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine has a molecular weight of 314.56 g/mol, XLogP of 4.90, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,11-dimethyl-1-(2-methylbutoxy)dodecan-4-yl]hydrazine is sourced from PubChem (CID 90896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).