(Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine

C12H20N2 — CID 130389836

IUPAC(Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine
SMILES[H]/N=C\C=C/C(C(N)=C1CC1)C(C)CC
InChIInChI=1S/C12H20N2/c1-3-9(2)11(5-4-8-13)12(14)10-6-7-10/h4-5,8-9,11,13H,3,6-7,14H2,1-2H3/b5-4-,13-8-
InChIKeyYYARXLALHAUSBX-NSMXULMMSA-N
MW192.31 g/mol
LogP2.86
Rot. Bonds5

About (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine

(Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine (PubChem CID 130389836) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine
PubChem CID130389836
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine
SMILES[H]/N=C\C=C/C(C(N)=C1CC1)C(C)CC
InChIInChI=1S/C12H20N2/c1-3-9(2)11(5-4-8-13)12(14)10-6-7-10/h4-5,8-9,11,13H,3,6-7,14H2,1-2H3/b5-4-,13-8-
InChIKeyYYARXLALHAUSBX-NSMXULMMSA-N
XLogP2.86
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
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)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine?
The IUPAC name of (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine (CID 130389836) is (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine.
What is the SMILES notation for (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine?
The canonical SMILES for (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine is [H]/N=C\C=C/C(C(N)=C1CC1)C(C)CC.
What is the InChIKey of (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine?
The InChIKey is YYARXLALHAUSBX-NSMXULMMSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-9(2)11(5-4-8-13)12(14)10-6-7-10/h4-5,8-9,11,13H,3,6-7,14H2,1-2H3/b5-4-,13-8-.
What are the key properties of (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine?
(Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butan-2-yl-1-cyclopropylidene-5-iminopent-3-en-1-amine is sourced from PubChem (CID 130389836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).