(E)-amino(butylidene)azanium

C4H11N2+ — CID 20703197

IUPAC(E)-amino(butylidene)azanium
SMILESCCC/C=[NH+]/N
InChIInChI=1S/C4H10N2/c1-2-3-4-6-5/h4H,2-3,5H2,1H3/p+1/b6-4+
InChIKeyVDQKXPPTYHGNGW-GQCTYLIASA-O
MW87.15 g/mol
LogP-1.19
Rot. Bonds2

About (E)-amino(butylidene)azanium

(E)-amino(butylidene)azanium (PubChem CID 20703197) has the molecular formula C4H11N2+ and a molecular weight of 87.15 g/mol. Its IUPAC name is (E)-amino(butylidene)azanium.

Molecular Properties

Compound Name(E)-amino(butylidene)azanium
PubChem CID20703197
Molecular FormulaC4H11N2+
Molecular Weight87.15 g/mol
Exact Mass87.09
IUPAC Name(E)-amino(butylidene)azanium
SMILESCCC/C=[NH+]/N
InChIInChI=1S/C4H10N2/c1-2-3-4-6-5/h4H,2-3,5H2,1H3/p+1/b6-4+
InChIKeyVDQKXPPTYHGNGW-GQCTYLIASA-O
XLogP-1.19
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butanal;propane
CID 142417026
alumane;butanal
CID 175259224
butanal;dihydrate
CID 144519369
lithium;butanal;hydride
CID 172997577
butanal;hydrate;hydrofluoride
CID 174309554
magnesium;butanal;hydride
CID 173011823
O-(butylidene-λ3-iodanyl)hydroxylamine
CID 163825877
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
butanal;pentanedial
CID 87991120
(Z)-butylidenehydrazine
CID 143347514

Frequently Asked Questions

What is the IUPAC name of (E)-amino(butylidene)azanium?
The IUPAC name of (E)-amino(butylidene)azanium (CID 20703197) is (E)-amino(butylidene)azanium.
What is the SMILES notation for (E)-amino(butylidene)azanium?
The canonical SMILES for (E)-amino(butylidene)azanium is CCC/C=[NH+]/N.
What is the InChIKey of (E)-amino(butylidene)azanium?
The InChIKey is VDQKXPPTYHGNGW-GQCTYLIASA-O. The full InChI is InChI=1S/C4H10N2/c1-2-3-4-6-5/h4H,2-3,5H2,1H3/p+1/b6-4+.
What are the key properties of (E)-amino(butylidene)azanium?
(E)-amino(butylidene)azanium has a molecular weight of 87.15 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-amino(butylidene)azanium is sourced from PubChem (CID 20703197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).