3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

C12H24N2 — CID 126613750

IUPAC3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESCC(NC(C)C)=C(C)/C(C)=N/C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)13-11(6)10(5)12(7)14-9(3)4/h8-9,13H,1-7H3/b11-10?,14-12+
InChIKeyAZYLBSMPMHEJPL-KYDRHYAJSA-N
MW196.34 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 126613750) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID126613750
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESCC(NC(C)C)=C(C)/C(C)=N/C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)13-11(6)10(5)12(7)14-9(3)4/h8-9,13H,1-7H3/b11-10?,14-12+
InChIKeyAZYLBSMPMHEJPL-KYDRHYAJSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.15
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-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (CID 126613750) is 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is CC(NC(C)C)=C(C)/C(C)=N/C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is AZYLBSMPMHEJPL-KYDRHYAJSA-N. The full InChI is InChI=1S/C12H24N2/c1-8(2)13-11(6)10(5)12(7)14-9(3)4/h8-9,13H,1-7H3/b11-10?,14-12+.
What are the key properties of 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 126613750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).