N-ethyl-N'-(4-methylpentyl)methanediimine chloride

C9H18ClN2- — CID 169423866

IUPACN-ethyl-N'-(4-methylpentyl)methanediimine chloride
SMILESCCN=C=NCCCC(C)C.[Cl-]
InChIInChI=1S/C9H18N2.ClH/c1-4-10-8-11-7-5-6-9(2)3;/h9H,4-7H2,1-3H3;1H/p-1
InChIKeyLHXCBHVAYLQAKV-UHFFFAOYSA-M
MW189.71 g/mol
LogP-0.38
Rot. Bonds5

About N-ethyl-N'-(4-methylpentyl)methanediimine chloride

N-ethyl-N'-(4-methylpentyl)methanediimine chloride (PubChem CID 169423866) has the molecular formula C9H18ClN2- and a molecular weight of 189.71 g/mol. Its IUPAC name is N-ethyl-N'-(4-methylpentyl)methanediimine chloride.

Molecular Properties

Compound NameN-ethyl-N'-(4-methylpentyl)methanediimine chloride
PubChem CID169423866
Molecular FormulaC9H18ClN2-
Molecular Weight189.71 g/mol
Exact Mass189.12
IUPAC NameN-ethyl-N'-(4-methylpentyl)methanediimine chloride
SMILESCCN=C=NCCCC(C)C.[Cl-]
InChIInChI=1S/C9H18N2.ClH/c1-4-10-8-11-7-5-6-9(2)3;/h9H,4-7H2,1-3H3;1H/p-1
InChIKeyLHXCBHVAYLQAKV-UHFFFAOYSA-M
XLogP-0.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-isocyanato-4-methylpentane
CID 12705326
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881
N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine
CID 141489709
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
1-isocyanato-23-methyltetracosane
CID 140840712
4-methylpentyliminotungsten
CID 177070501
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
CID 158091351
1-azido-4-methylpentane
CID 58070777
methane;2-methylbutane;2-methylhexane
CID 167665387
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-methylpentyl)methanediimine chloride?
The IUPAC name of N-ethyl-N'-(4-methylpentyl)methanediimine chloride (CID 169423866) is N-ethyl-N'-(4-methylpentyl)methanediimine chloride.
What is the SMILES notation for N-ethyl-N'-(4-methylpentyl)methanediimine chloride?
The canonical SMILES for N-ethyl-N'-(4-methylpentyl)methanediimine chloride is CCN=C=NCCCC(C)C.[Cl-].
What is the InChIKey of N-ethyl-N'-(4-methylpentyl)methanediimine chloride?
The InChIKey is LHXCBHVAYLQAKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N2.ClH/c1-4-10-8-11-7-5-6-9(2)3;/h9H,4-7H2,1-3H3;1H/p-1.
What are the key properties of N-ethyl-N'-(4-methylpentyl)methanediimine chloride?
N-ethyl-N'-(4-methylpentyl)methanediimine chloride has a molecular weight of 189.71 g/mol, XLogP of -0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-methylpentyl)methanediimine chloride is sourced from PubChem (CID 169423866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).