2,3-diiminobutan-1-amine

C4H9N3 — CID 123340860

IUPAC2,3-diiminobutan-1-amine
SMILES[H]/N=C(C)/C(CN)=N/[H]
InChIInChI=1S/C4H9N3/c1-3(6)4(7)2-5/h6-7H,2,5H2,1H3/b6-3+,7-4+
InChIKeyMZRNPHYWTGTLRR-XOKGJFMYSA-N
MW99.14 g/mol
LogP0.00
Rot. Bonds2

About 2,3-diiminobutan-1-amine

2,3-diiminobutan-1-amine (PubChem CID 123340860) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 2,3-diiminobutan-1-amine.

Molecular Properties

Compound Name2,3-diiminobutan-1-amine
PubChem CID123340860
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name2,3-diiminobutan-1-amine
SMILES[H]/N=C(C)/C(CN)=N/[H]
InChIInChI=1S/C4H9N3/c1-3(6)4(7)2-5/h6-7H,2,5H2,1H3/b6-3+,7-4+
InChIKeyMZRNPHYWTGTLRR-XOKGJFMYSA-N
XLogP0.00
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
2,3-diimino-N-prop-2-ynylbutan-1-amine
CID 155366106
2-iminopropanimidamide
CID 174066114
ethanimidamide;guanidine
CID 160661984
5-chloro-3-methylpent-3-en-2-imine
CID 174617581
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722
(Z)-4-iminopent-2-en-1-amine
CID 142289238
(Z)-4-iminopent-2-en-3-amine
CID 147180053
tetradecyl 3-amino-2-iminopropanoate
CID 90710593
2-iminopent-3-ene-1,4-diamine
CID 147865481
CID 177319664
CID 177319664
3-iminobutan-2-one;hydrochloride
CID 91594122

Frequently Asked Questions

What is the IUPAC name of 2,3-diiminobutan-1-amine?
The IUPAC name of 2,3-diiminobutan-1-amine (CID 123340860) is 2,3-diiminobutan-1-amine.
What is the SMILES notation for 2,3-diiminobutan-1-amine?
The canonical SMILES for 2,3-diiminobutan-1-amine is [H]/N=C(C)/C(CN)=N/[H].
What is the InChIKey of 2,3-diiminobutan-1-amine?
The InChIKey is MZRNPHYWTGTLRR-XOKGJFMYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3(6)4(7)2-5/h6-7H,2,5H2,1H3/b6-3+,7-4+.
What are the key properties of 2,3-diiminobutan-1-amine?
2,3-diiminobutan-1-amine has a molecular weight of 99.14 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiminobutan-1-amine is sourced from PubChem (CID 123340860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).