(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine

C9H18N2 — CID 90063462

IUPAC(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine
SMILESCCC/C=N/C=C(/CC)NC
InChIInChI=1S/C9H18N2/c1-4-6-7-11-8-9(5-2)10-3/h7-8,10H,4-6H2,1-3H3/b9-8-,11-7+
InChIKeyXDQFTWJQGCECPK-NVKZJLNYSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds5

About (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine

(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine (PubChem CID 90063462) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine
PubChem CID90063462
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine
SMILESCCC/C=N/C=C(/CC)NC
InChIInChI=1S/C9H18N2/c1-4-6-7-11-8-9(5-2)10-3/h7-8,10H,4-6H2,1-3H3/b9-8-,11-7+
InChIKeyXDQFTWJQGCECPK-NVKZJLNYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine?
The IUPAC name of (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine (CID 90063462) is (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine is CCC/C=N/C=C(/CC)NC.
What is the InChIKey of (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine?
The InChIKey is XDQFTWJQGCECPK-NVKZJLNYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-7-11-8-9(5-2)10-3/h7-8,10H,4-6H2,1-3H3/b9-8-,11-7+.
What are the key properties of (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine?
(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine is sourced from PubChem (CID 90063462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).