N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine

C11H22N4 — CID 81079335

IUPACN',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESCC(CN)CCN(C)Cc1nccn1C
InChIInChI=1S/C11H22N4/c1-10(8-12)4-6-14(2)9-11-13-5-7-15(11)3/h5,7,10H,4,6,8-9,12H2,1-3H3
InChIKeyQNMIQDRCSVDEOY-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.84
Rot. Bonds6

About N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine (PubChem CID 81079335) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
PubChem CID81079335
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESCC(CN)CCN(C)Cc1nccn1C
InChIInChI=1S/C11H22N4/c1-10(8-12)4-6-14(2)9-11-13-5-7-15(11)3/h5,7,10H,4,6,8-9,12H2,1-3H3
InChIKeyQNMIQDRCSVDEOY-UHFFFAOYSA-N
XLogP0.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]propanimidamide
CID 114266428
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine (CID 81079335) is N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine is CC(CN)CCN(C)Cc1nccn1C.
What is the InChIKey of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The InChIKey is QNMIQDRCSVDEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(8-12)4-6-14(2)9-11-13-5-7-15(11)3/h5,7,10H,4,6,8-9,12H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 81079335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).