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

C7H16N4 — CID 177255665

IUPAC4-(ethyliminomethylideneamino)butane-2,2-diamine
SMILESCCN=C=NCCC(C)(N)N
InChIInChI=1S/C7H16N4/c1-3-10-6-11-5-4-7(2,8)9/h3-5,8-9H2,1-2H3
InChIKeyUKTCCZUBCMUGKW-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.20
Rot. Bonds4

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

4-(ethyliminomethylideneamino)butane-2,2-diamine (PubChem CID 177255665) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(ethyliminomethylideneamino)butane-2,2-diamine.

Molecular Properties

Compound Name4-(ethyliminomethylideneamino)butane-2,2-diamine
PubChem CID177255665
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name4-(ethyliminomethylideneamino)butane-2,2-diamine
SMILESCCN=C=NCCC(C)(N)N
InChIInChI=1S/C7H16N4/c1-3-10-6-11-5-4-7(2,8)9/h3-5,8-9H2,1-2H3
InChIKeyUKTCCZUBCMUGKW-UHFFFAOYSA-N
XLogP0.20
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.20
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;hydrochloride
CID 177255664
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
1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine
CID 174836195
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
N,N'-dipropylmethanediimine
CID 12725951
N-[2-(ethyliminomethylideneamino)ethyl]-N-propan-2-ylpropan-2-amine
CID 151363016
N-ethyl-N'-prop-2-enylmethanediimine
CID 54083373
3-amino-N-(ethyliminomethylidene)-3-methylbutanamide
CID 88743416
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine
CID 141489709

Frequently Asked Questions

What is the IUPAC name of 4-(ethyliminomethylideneamino)butane-2,2-diamine?
The IUPAC name of 4-(ethyliminomethylideneamino)butane-2,2-diamine (CID 177255665) is 4-(ethyliminomethylideneamino)butane-2,2-diamine.
What is the SMILES notation for 4-(ethyliminomethylideneamino)butane-2,2-diamine?
The canonical SMILES for 4-(ethyliminomethylideneamino)butane-2,2-diamine is CCN=C=NCCC(C)(N)N.
What is the InChIKey of 4-(ethyliminomethylideneamino)butane-2,2-diamine?
The InChIKey is UKTCCZUBCMUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-3-10-6-11-5-4-7(2,8)9/h3-5,8-9H2,1-2H3.
What are the key properties of 4-(ethyliminomethylideneamino)butane-2,2-diamine?
4-(ethyliminomethylideneamino)butane-2,2-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.20, 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 is sourced from PubChem (CID 177255665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).