1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

C22H47Cl2N3 — CID 174522599

IUPAC1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCl.CCN=C=NCCCN(C)C.Cl
InChIInChI=1S/C14H29Cl.C8H17N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-9-8-10-6-5-7-11(2)3;/h2-14H2,1H3;4-7H2,1-3H3;1H
InChIKeyJVLCUJMQIDXTJD-UHFFFAOYSA-N
MW424.55 g/mol
LogP7.48
Rot. Bonds17

About 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 174522599) has the molecular formula C22H47Cl2N3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID174522599
Molecular FormulaC22H47Cl2N3
Molecular Weight424.55 g/mol
Exact Mass423.31
IUPAC Name1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCl.CCN=C=NCCCN(C)C.Cl
InChIInChI=1S/C14H29Cl.C8H17N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-9-8-10-6-5-7-11(2)3;/h2-14H2,1H3;4-7H2,1-3H3;1H
InChIKeyJVLCUJMQIDXTJD-UHFFFAOYSA-N
XLogP7.48
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643
trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509
N,N'-dioctadecylmethanediimine
CID 10918627

Frequently Asked Questions

What is the IUPAC name of 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (CID 174522599) is 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is CCCCCCCCCCCCCCCl.CCN=C=NCCCN(C)C.Cl.
What is the InChIKey of 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is JVLCUJMQIDXTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl.C8H17N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-9-8-10-6-5-7-11(2)3;/h2-14H2,1H3;4-7H2,1-3H3;1H.
What are the key properties of 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 424.55 g/mol, XLogP of 7.48, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 174522599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).