N,N',2,2,4,4-hexamethylpentane-1,5-diimine

C11H22N2 — CID 126672640

IUPACN,N',2,2,4,4-hexamethylpentane-1,5-diimine
SMILESC/N=C/C(C)(C)CC(C)(C)/C=N/C
InChIInChI=1S/C11H22N2/c1-10(2,8-12-5)7-11(3,4)9-13-6/h8-9H,7H2,1-6H3/b12-8+,13-9+
InChIKeyNXGNAQVUSJUAET-QHKWOANTSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds4

About N,N',2,2,4,4-hexamethylpentane-1,5-diimine

N,N',2,2,4,4-hexamethylpentane-1,5-diimine (PubChem CID 126672640) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N',2,2,4,4-hexamethylpentane-1,5-diimine.

Molecular Properties

Compound NameN,N',2,2,4,4-hexamethylpentane-1,5-diimine
PubChem CID126672640
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N',2,2,4,4-hexamethylpentane-1,5-diimine
SMILESC/N=C/C(C)(C)CC(C)(C)/C=N/C
InChIInChI=1S/C11H22N2/c1-10(2,8-12-5)7-11(3,4)9-13-6/h8-9H,7H2,1-6H3/b12-8+,13-9+
InChIKeyNXGNAQVUSJUAET-QHKWOANTSA-N
XLogP2.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
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 N,N',2,2,4,4-hexamethylpentane-1,5-diimine?
The IUPAC name of N,N',2,2,4,4-hexamethylpentane-1,5-diimine (CID 126672640) is N,N',2,2,4,4-hexamethylpentane-1,5-diimine.
What is the SMILES notation for N,N',2,2,4,4-hexamethylpentane-1,5-diimine?
The canonical SMILES for N,N',2,2,4,4-hexamethylpentane-1,5-diimine is C/N=C/C(C)(C)CC(C)(C)/C=N/C.
What is the InChIKey of N,N',2,2,4,4-hexamethylpentane-1,5-diimine?
The InChIKey is NXGNAQVUSJUAET-QHKWOANTSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2,8-12-5)7-11(3,4)9-13-6/h8-9H,7H2,1-6H3/b12-8+,13-9+.
What are the key properties of N,N',2,2,4,4-hexamethylpentane-1,5-diimine?
N,N',2,2,4,4-hexamethylpentane-1,5-diimine has a molecular weight of 182.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,2,4,4-hexamethylpentane-1,5-diimine is sourced from PubChem (CID 126672640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).