3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine

C12H24N2 — CID 89312014

IUPAC3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine
SMILES[H]/N=C/C(C(C)C)C(C)C/N=C/C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)7-14-8-11(5)12(6-13)10(3)4/h6-7,9-13H,8H2,1-5H3/b13-6+,14-7+
InChIKeyNUJDQHLKNYWPJU-AANLELRNSA-N
MW196.34 g/mol
LogP3.27
Rot. Bonds6

About 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine

3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine (PubChem CID 89312014) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine.

Molecular Properties

Compound Name3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine
PubChem CID89312014
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine
SMILES[H]/N=C/C(C(C)C)C(C)C/N=C/C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)7-14-8-11(5)12(6-13)10(3)4/h6-7,9-13H,8H2,1-5H3/b13-6+,14-7+
InChIKeyNUJDQHLKNYWPJU-AANLELRNSA-N
XLogP3.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide
CID 142458847
ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
CID 142912446
4-chloro-2,3-dimethylbutan-1-imine
CID 135137361
3-propan-2-ylsulfanylpropan-1-imine
CID 130460369
4-methylheptane-1,7-diimine
CID 139852006
[(2R,3S)-3-hydroxy-4-imino-2-methylbutyl]oxidanium
CID 163682954
2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine
CID 102382107
2-propan-2-ylhex-4-en-1-imine
CID 123137099
5-methylhexane-1,4-diimine
CID 156550679
N-(3-imino-2-methylpropyl)formamide
CID 123138014
2-(3-methyl-2-propan-2-ylbutoxy)ethanimine
CID 89261696
1-iminopropan-2-ol;hydrochloride
CID 158886323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine?
The IUPAC name of 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine (CID 89312014) is 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine.
What is the SMILES notation for 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine?
The canonical SMILES for 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine is [H]/N=C/C(C(C)C)C(C)C/N=C/C(C)C.
What is the InChIKey of 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine?
The InChIKey is NUJDQHLKNYWPJU-AANLELRNSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)7-14-8-11(5)12(6-13)10(3)4/h6-7,9-13H,8H2,1-5H3/b13-6+,14-7+.
What are the key properties of 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine?
3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine has a molecular weight of 196.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine is sourced from PubChem (CID 89312014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).