(2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine

C12H26N2 — CID 76763881

IUPAC(2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine
SMILESCC(C)/N=C/[C@H](NC(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-9(2)13-8-11(12(5,6)7)14-10(3)4/h8-11,14H,1-7H3/b13-8+/t11-/m0/s1
InChIKeyWGONBUYJKZFJRV-ZWSXMNCCSA-N
MW198.35 g/mol
LogP2.88
Rot. Bonds4

About (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine

(2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine (PubChem CID 76763881) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine
PubChem CID76763881
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine
SMILESCC(C)/N=C/[C@H](NC(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-9(2)13-8-11(12(5,6)7)14-10(3)4/h8-11,14H,1-7H3/b13-8+/t11-/m0/s1
InChIKeyWGONBUYJKZFJRV-ZWSXMNCCSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.88
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 (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine?
The IUPAC name of (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine (CID 76763881) is (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine.
What is the SMILES notation for (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine?
The canonical SMILES for (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine is CC(C)/N=C/[C@H](NC(C)C)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine?
The InChIKey is WGONBUYJKZFJRV-ZWSXMNCCSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)13-8-11(12(5,6)7)14-10(3)4/h8-11,14H,1-7H3/b13-8+/t11-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine?
(2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-N-propan-2-yl-1-propan-2-yliminobutan-2-amine is sourced from PubChem (CID 76763881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).