4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine

C11H22N4 — CID 64708051

IUPAC4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
SMILESCC(N)CC(C)N(C)Cc1nccn1C
InChIInChI=1S/C11H22N4/c1-9(12)7-10(2)15(4)8-11-13-5-6-14(11)3/h5-6,9-10H,7-8,12H2,1-4H3
InChIKeyRAGCWQVFXOWPIG-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.98
Rot. Bonds5

About 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine

4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine (PubChem CID 64708051) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
PubChem CID64708051
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
SMILESCC(N)CC(C)N(C)Cc1nccn1C
InChIInChI=1S/C11H22N4/c1-9(12)7-10(2)15(4)8-11-13-5-6-14(11)3/h5-6,9-10H,7-8,12H2,1-4H3
InChIKeyRAGCWQVFXOWPIG-UHFFFAOYSA-N
XLogP0.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
CID 81342939
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine (CID 64708051) is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine is CC(N)CC(C)N(C)Cc1nccn1C.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine?
The InChIKey is RAGCWQVFXOWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(12)7-10(2)15(4)8-11-13-5-6-14(11)3/h5-6,9-10H,7-8,12H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine?
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine is sourced from PubChem (CID 64708051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).