3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine

C8H18ClN3 — CID 159163841

IUPAC3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
SMILESCCN=C=N.CN(C)CCCCl
InChIInChI=1S/C5H12ClN.C3H6N2/c1-7(2)5-3-4-6;1-2-5-3-4/h3-5H2,1-2H3;4H,2H2,1H3
InChIKeyKKVBZICUVLADIP-UHFFFAOYSA-N
MW191.71 g/mol
LogP1.94
Rot. Bonds4

About 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine

3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine (PubChem CID 159163841) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine.

Molecular Properties

Compound Name3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
PubChem CID159163841
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
SMILESCCN=C=N.CN(C)CCCCl
InChIInChI=1S/C5H12ClN.C3H6N2/c1-7(2)5-3-4-6;1-2-5-3-4/h3-5H2,1-2H3;4H,2H2,1H3
InChIKeyKKVBZICUVLADIP-UHFFFAOYSA-N
XLogP1.94
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174522599
N'-ethylmethanediimine;methanol
CID 172822165
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine
CID 158191301
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium
CID 175447765
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine?
The IUPAC name of 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine (CID 159163841) is 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine.
What is the SMILES notation for 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine?
The canonical SMILES for 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine is CCN=C=N.CN(C)CCCCl.
What is the InChIKey of 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine?
The InChIKey is KKVBZICUVLADIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN.C3H6N2/c1-7(2)5-3-4-6;1-2-5-3-4/h3-5H2,1-2H3;4H,2H2,1H3.
What are the key properties of 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine?
3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine has a molecular weight of 191.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine is sourced from PubChem (CID 159163841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).