3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine

C12H22N2 — CID 167096800

IUPAC3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine
SMILESC=C(NC(=C/C)/C(C)=N/C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-8-11(9(2)13-7)14-10(3)12(4,5)6/h8,14H,3H2,1-2,4-7H3/b11-8+,13-9+
InChIKeyUCZPRICBGOGSIP-BLTLMDCKSA-N
MW194.32 g/mol
LogP3.13
Rot. Bonds3

About 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine

3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine (PubChem CID 167096800) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine
PubChem CID167096800
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine
SMILESC=C(NC(=C/C)/C(C)=N/C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-8-11(9(2)13-7)14-10(3)12(4,5)6/h8,14H,3H2,1-2,4-7H3/b11-8+,13-9+
InChIKeyUCZPRICBGOGSIP-BLTLMDCKSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.13
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 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine?
The IUPAC name of 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine (CID 167096800) is 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine is C=C(NC(=C/C)/C(C)=N/C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine?
The InChIKey is UCZPRICBGOGSIP-BLTLMDCKSA-N. The full InChI is InChI=1S/C12H22N2/c1-8-11(9(2)13-7)14-10(3)12(4,5)6/h8,14H,3H2,1-2,4-7H3/b11-8+,13-9+.
What are the key properties of 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine?
3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(E)-4-methyliminopent-2-en-3-yl]but-1-en-2-amine is sourced from PubChem (CID 167096800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).