4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride

C7H17ClN4 — CID 177255664

IUPAC4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
SMILESCCN=C=NCCC(C)(N)N.Cl
InChIInChI=1S/C7H16N4.ClH/c1-3-10-6-11-5-4-7(2,8)9;/h3-5,8-9H2,1-2H3;1H
InChIKeyQNNUTOILCQVYOK-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.63
Rot. Bonds4

About 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride

4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride (PubChem CID 177255664) has the molecular formula C7H17ClN4 and a molecular weight of 192.69 g/mol. Its IUPAC name is 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride.

Molecular Properties

Compound Name4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
PubChem CID177255664
Molecular FormulaC7H17ClN4
Molecular Weight192.69 g/mol
Exact Mass192.11
IUPAC Name4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
SMILESCCN=C=NCCC(C)(N)N.Cl
InChIInChI=1S/C7H16N4.ClH/c1-3-10-6-11-5-4-7(2,8)9;/h3-5,8-9H2,1-2H3;1H
InChIKeyQNNUTOILCQVYOK-UHFFFAOYSA-N
XLogP0.63
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(ethyliminomethylideneamino)butane-2,2-diamine
CID 177255665
3-methyl-1-(methyliminomethylideneamino)pentan-3-amine
CID 86640672
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
N'-ethyl-N-methylmethanediimine;hydrochloride
CID 174911040
1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine
CID 174836195
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride
CID 174897153
N,N'-dipropylmethanediimine
CID 12725951

Frequently Asked Questions

What is the IUPAC name of 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride?
The IUPAC name of 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride (CID 177255664) is 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride.
What is the SMILES notation for 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride?
The canonical SMILES for 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride is CCN=C=NCCC(C)(N)N.Cl.
What is the InChIKey of 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride?
The InChIKey is QNNUTOILCQVYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.ClH/c1-3-10-6-11-5-4-7(2,8)9;/h3-5,8-9H2,1-2H3;1H.
What are the key properties of 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride?
4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride is sourced from PubChem (CID 177255664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).