butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

C12H27N3O — CID 170171084

IUPACbutan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCCCCO.CCN=C=NCCCN(C)C
InChIInChI=1S/C8H17N3.C4H10O/c1-4-9-8-10-6-5-7-11(2)3;1-2-3-4-5/h4-7H2,1-3H3;5H,2-4H2,1H3
InChIKeyLBQYZZQRKCUIRO-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.91
Rot. Bonds7

About butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 170171084) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namebutan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID170171084
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Namebutan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCCCCO.CCN=C=NCCCN(C)C
InChIInChI=1S/C8H17N3.C4H10O/c1-4-9-8-10-6-5-7-11(2)3;1-2-3-4-5/h4-7H2,1-3H3;5H,2-4H2,1H3
InChIKeyLBQYZZQRKCUIRO-UHFFFAOYSA-N
XLogP1.91
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174522599
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
[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol
CID 152553088

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine (CID 170171084) is butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine is CCCCO.CCN=C=NCCCN(C)C.
What is the InChIKey of butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is LBQYZZQRKCUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C4H10O/c1-4-9-8-10-6-5-7-11(2)3;1-2-3-4-5/h4-7H2,1-3H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170171084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).