3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

C8H16N3+ — CID 135981086

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESC[CH+]N=C=NCCCN(C)C
InChIInChI=1S/C8H16N3/c1-4-9-8-10-6-5-7-11(2)3/h4H,5-7H2,1-3H3/q+1
InChIKeyALVIXCTVGVRIEB-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.29
Rot. Bonds5

About 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 135981086) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID135981086
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESC[CH+]N=C=NCCCN(C)C
InChIInChI=1S/C8H16N3/c1-4-9-8-10-6-5-7-11(2)3/h4H,5-7H2,1-3H3/q+1
InChIKeyALVIXCTVGVRIEB-UHFFFAOYSA-N
XLogP1.29
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 174829721
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
N,N-dimethyl-3-(3-morpholin-4-ylpropyliminomethylideneamino)propan-1-amine
CID 10923093
N,N-dimethyl-3-(2-methylpropyliminomethylideneamino)propan-1-amine;hydrochloride
CID 162304570
3-isothiocyanato-N,N-dimethylpropan-1-amine;hydrochloride
CID 17365655
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine (CID 135981086) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine is C[CH+]N=C=NCCCN(C)C.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is ALVIXCTVGVRIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-4-9-8-10-6-5-7-11(2)3/h4H,5-7H2,1-3H3/q+1.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 154.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 135981086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).