3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine

C16H34N6 — CID 158191301

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)N=C=N.CCN=C=NCCCN(C)C
InChIInChI=1S/2C8H17N3/c1-4-8(10-7-9)5-6-11(2)3;1-4-9-8-10-6-5-7-11(2)3/h8-9H,4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyFZUBTGQFZZJSTE-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.60
Rot. Bonds10

About 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine (PubChem CID 158191301) has the molecular formula C16H34N6 and a molecular weight of 310.49 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine
PubChem CID158191301
Molecular FormulaC16H34N6
Molecular Weight310.49 g/mol
Exact Mass310.28
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)N=C=N.CCN=C=NCCCN(C)C
InChIInChI=1S/2C8H17N3/c1-4-8(10-7-9)5-6-11(2)3;1-4-9-8-10-6-5-7-11(2)3/h8-9H,4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyFZUBTGQFZZJSTE-UHFFFAOYSA-N
XLogP2.60
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509
N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine
CID 87182255
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174522599

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine (CID 158191301) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine is CCC(CCN(C)C)N=C=N.CCN=C=NCCCN(C)C.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine?
The InChIKey is FZUBTGQFZZJSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N3/c1-4-8(10-7-9)5-6-11(2)3;1-4-9-8-10-6-5-7-11(2)3/h8-9H,4-6H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine has a molecular weight of 310.49 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 158191301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).