(Z)-3-propan-2-yliminobut-1-en-1-amine

C7H14N2 — CID 142577174

IUPAC(Z)-3-propan-2-yliminobut-1-en-1-amine
SMILESCC(/C=C\N)=N\C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8/h4-6H,8H2,1-3H3/b5-4-,9-7+
InChIKeyZRENICCSAFDQGC-XEQCUQEESA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds2

About (Z)-3-propan-2-yliminobut-1-en-1-amine

(Z)-3-propan-2-yliminobut-1-en-1-amine (PubChem CID 142577174) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-3-propan-2-yliminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-propan-2-yliminobut-1-en-1-amine
PubChem CID142577174
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-3-propan-2-yliminobut-1-en-1-amine
SMILESCC(/C=C\N)=N\C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8/h4-6H,8H2,1-3H3/b5-4-,9-7+
InChIKeyZRENICCSAFDQGC-XEQCUQEESA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
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)-3-propan-2-yliminobut-1-en-1-amine?
The IUPAC name of (Z)-3-propan-2-yliminobut-1-en-1-amine (CID 142577174) is (Z)-3-propan-2-yliminobut-1-en-1-amine.
What is the SMILES notation for (Z)-3-propan-2-yliminobut-1-en-1-amine?
The canonical SMILES for (Z)-3-propan-2-yliminobut-1-en-1-amine is CC(/C=C\N)=N\C(C)C.
What is the InChIKey of (Z)-3-propan-2-yliminobut-1-en-1-amine?
The InChIKey is ZRENICCSAFDQGC-XEQCUQEESA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8/h4-6H,8H2,1-3H3/b5-4-,9-7+.
What are the key properties of (Z)-3-propan-2-yliminobut-1-en-1-amine?
(Z)-3-propan-2-yliminobut-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-propan-2-yliminobut-1-en-1-amine is sourced from PubChem (CID 142577174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).