N-methyl-1,3-di(propan-2-yl)imidazol-2-imine

C10H19N3 — CID 155619134

IUPACN-methyl-1,3-di(propan-2-yl)imidazol-2-imine
SMILESCN=c1n(C(C)C)ccn1C(C)C
InChIInChI=1S/C10H19N3/c1-8(2)12-6-7-13(9(3)4)10(12)11-5/h6-9H,1-5H3
InChIKeyNBMQPWJEIAMYRV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.98
Rot. Bonds2

About N-methyl-1,3-di(propan-2-yl)imidazol-2-imine

N-methyl-1,3-di(propan-2-yl)imidazol-2-imine (PubChem CID 155619134) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-1,3-di(propan-2-yl)imidazol-2-imine.

Molecular Properties

Compound NameN-methyl-1,3-di(propan-2-yl)imidazol-2-imine
PubChem CID155619134
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-1,3-di(propan-2-yl)imidazol-2-imine
SMILESCN=c1n(C(C)C)ccn1C(C)C
InChIInChI=1S/C10H19N3/c1-8(2)12-6-7-13(9(3)4)10(12)11-5/h6-9H,1-5H3
InChIKeyNBMQPWJEIAMYRV-UHFFFAOYSA-N
XLogP1.98
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Di-tert-butylimidazol-2-ylidene
CID 10961644
1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide
CID 11466288
1,3-Diisopropyl-1,3-dihydro-2H-imidazol-2-ylidene
CID 15953579
1,3-dipropyl-2H-imidazol-1-ium-2-ide
CID 57988735
1-tert-butyl-3-[(3-tert-butyl-2H-imidazol-3-ium-2-id-1-yl)methyl]-2H-imidazol-1-ium-2-ide
CID 58666277
1,3-diisopropyl-1H-imidazol-2(3H)-imine
CID 16105086
1-tert-butyl-3-methyl-2H-imidazol-3-ium-2-ide
CID 135030568
1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine
CID 135041239
1-butyl-3-methyl-2H-imidazol-1-ium-2-ide
CID 11212945
1,1-Di(propan-2-yl)imidazol-1-ium
CID 18407947
1-Methyl-1-propan-2-ylimidazol-1-ium
CID 19067541
lithium 1-propan-2-yl-2H-imidazol-2-ide
CID 20329597

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-di(propan-2-yl)imidazol-2-imine?
The IUPAC name of N-methyl-1,3-di(propan-2-yl)imidazol-2-imine (CID 155619134) is N-methyl-1,3-di(propan-2-yl)imidazol-2-imine.
What is the SMILES notation for N-methyl-1,3-di(propan-2-yl)imidazol-2-imine?
The canonical SMILES for N-methyl-1,3-di(propan-2-yl)imidazol-2-imine is CN=c1n(C(C)C)ccn1C(C)C.
What is the InChIKey of N-methyl-1,3-di(propan-2-yl)imidazol-2-imine?
The InChIKey is NBMQPWJEIAMYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)12-6-7-13(9(3)4)10(12)11-5/h6-9H,1-5H3.
What are the key properties of N-methyl-1,3-di(propan-2-yl)imidazol-2-imine?
N-methyl-1,3-di(propan-2-yl)imidazol-2-imine has a molecular weight of 181.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-di(propan-2-yl)imidazol-2-imine is sourced from PubChem (CID 155619134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).