N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine

C11H22N4 — CID 62743967

IUPACN',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine
SMILESCc1[nH]cnc1CNCCCCN(C)C
InChIInChI=1S/C11H22N4/c1-10-11(14-9-13-10)8-12-6-4-5-7-15(2)3/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeySQIJFJRVKAVMPJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds7

About N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine

N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine (PubChem CID 62743967) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine
PubChem CID62743967
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine
SMILESCc1[nH]cnc1CNCCCCN(C)C
InChIInChI=1S/C11H22N4/c1-10-11(14-9-13-10)8-12-6-4-5-7-15(2)3/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeySQIJFJRVKAVMPJ-UHFFFAOYSA-N
XLogP1.15
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine (CID 62743967) is N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine is Cc1[nH]cnc1CNCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine?
The InChIKey is SQIJFJRVKAVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10-11(14-9-13-10)8-12-6-4-5-7-15(2)3/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine?
N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 62743967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).