3-N,4-dimethyl-2-N-propylpentane-2,3-diimine

C10H20N2 — CID 91529845

IUPAC3-N,4-dimethyl-2-N-propylpentane-2,3-diimine
SMILESCCC/N=C(C)/C(=N/C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-12-9(4)10(11-5)8(2)3/h8H,6-7H2,1-5H3/b11-10+,12-9+
InChIKeyCFMWTEIVTMPODO-BFWCKKHCSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds4

About 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine

3-N,4-dimethyl-2-N-propylpentane-2,3-diimine (PubChem CID 91529845) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine.

Molecular Properties

Compound Name3-N,4-dimethyl-2-N-propylpentane-2,3-diimine
PubChem CID91529845
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-N,4-dimethyl-2-N-propylpentane-2,3-diimine
SMILESCCC/N=C(C)/C(=N/C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-12-9(4)10(11-5)8(2)3/h8H,6-7H2,1-5H3/b11-10+,12-9+
InChIKeyCFMWTEIVTMPODO-BFWCKKHCSA-N
XLogP2.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine?
The IUPAC name of 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine (CID 91529845) is 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine.
What is the SMILES notation for 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine?
The canonical SMILES for 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine is CCC/N=C(C)/C(=N/C)C(C)C.
What is the InChIKey of 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine?
The InChIKey is CFMWTEIVTMPODO-BFWCKKHCSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-12-9(4)10(11-5)8(2)3/h8H,6-7H2,1-5H3/b11-10+,12-9+.
What are the key properties of 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine?
3-N,4-dimethyl-2-N-propylpentane-2,3-diimine has a molecular weight of 168.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-dimethyl-2-N-propylpentane-2,3-diimine is sourced from PubChem (CID 91529845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).