2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine

C12H21N — CID 88909988

IUPAC2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine
SMILESC=C=C(CC)/N=C(\CC)C(C)(C)C
InChIInChI=1S/C12H21N/c1-7-10(8-2)13-11(9-3)12(4,5)6/h1,8-9H2,2-6H3/b13-11+
InChIKeyMCQYJYNZJNJAQB-ACCUITESSA-N
MW179.31 g/mol
LogP3.96
Rot. Bonds3

About 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine

2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine (PubChem CID 88909988) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine
PubChem CID88909988
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine
SMILESC=C=C(CC)/N=C(\CC)C(C)(C)C
InChIInChI=1S/C12H21N/c1-7-10(8-2)13-11(9-3)12(4,5)6/h1,8-9H2,2-6H3/b13-11+
InChIKeyMCQYJYNZJNJAQB-ACCUITESSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
The IUPAC name of 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine (CID 88909988) is 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine.
What is the SMILES notation for 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
The canonical SMILES for 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine is C=C=C(CC)/N=C(\CC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
The InChIKey is MCQYJYNZJNJAQB-ACCUITESSA-N. The full InChI is InChI=1S/C12H21N/c1-7-10(8-2)13-11(9-3)12(4,5)6/h1,8-9H2,2-6H3/b13-11+.
What are the key properties of 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-penta-1,2-dien-3-ylpentan-3-imine is sourced from PubChem (CID 88909988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).