(Z)-N-(methylideneamino)but-1-en-1-amine

C5H10N2 — CID 146936286

IUPAC(Z)-N-(methylideneamino)but-1-en-1-amine
SMILESC=NN/C=C\CC
InChIInChI=1S/C5H10N2/c1-3-4-5-7-6-2/h4-5,7H,2-3H2,1H3/b5-4-
InChIKeyAFZNIFHNKDKCOV-PLNGDYQASA-N
MW98.15 g/mol
LogP1.12
Rot. Bonds3

About (Z)-N-(methylideneamino)but-1-en-1-amine

(Z)-N-(methylideneamino)but-1-en-1-amine (PubChem CID 146936286) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)but-1-en-1-amine
PubChem CID146936286
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(Z)-N-(methylideneamino)but-1-en-1-amine
SMILESC=NN/C=C\CC
InChIInChI=1S/C5H10N2/c1-3-4-5-7-6-2/h4-5,7H,2-3H2,1H3/b5-4-
InChIKeyAFZNIFHNKDKCOV-PLNGDYQASA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z,6E,10Z)-8-imino-N-(methylideneamino)trideca-1,3,6,10-tetraen-1-amine;1,4-xylene
CID 143918128
N-hexa-1,3-dienylmethanimine
CID 123963868
N-but-1-enylpent-1-en-1-amine
CID 140583928
1-[(Z)-but-1-enyl]-2-methylguanidine
CID 142956866
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
CID 162303422
CID 162303422
N'-but-1-enyl-N-ethylethane-1,2-diamine
CID 146657084
N-trimethylsilyloxybut-1-en-1-amine
CID 90844551
N-but-1-enylhex-1-en-1-amine
CID 140583923
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917
(5E)-octa-3,5-diene
CID 173104147

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(methylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-N-(methylideneamino)but-1-en-1-amine (CID 146936286) is (Z)-N-(methylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-N-(methylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-N-(methylideneamino)but-1-en-1-amine is C=NN/C=C\CC.
What is the InChIKey of (Z)-N-(methylideneamino)but-1-en-1-amine?
The InChIKey is AFZNIFHNKDKCOV-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-5-7-6-2/h4-5,7H,2-3H2,1H3/b5-4-.
What are the key properties of (Z)-N-(methylideneamino)but-1-en-1-amine?
(Z)-N-(methylideneamino)but-1-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)but-1-en-1-amine is sourced from PubChem (CID 146936286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).