N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine

C13H26N4 — CID 63001825

IUPACN'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCc1cncn1C
InChIInChI=1S/C13H26N4/c1-12(2)16(3)8-6-5-7-14-9-13-10-15-11-17(13)4/h10-12,14H,5-9H2,1-4H3
InChIKeyFYPSLOQZWGADGS-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.63
Rot. Bonds8

About N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine

N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 63001825) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
PubChem CID63001825
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCc1cncn1C
InChIInChI=1S/C13H26N4/c1-12(2)16(3)8-6-5-7-14-9-13-10-15-11-17(13)4/h10-12,14H,5-9H2,1-4H3
InChIKeyFYPSLOQZWGADGS-UHFFFAOYSA-N
XLogP1.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 62762910
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 63000421
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79166303
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 119109875
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine (CID 63001825) is N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNCc1cncn1C.
What is the InChIKey of N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is FYPSLOQZWGADGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-12(2)16(3)8-6-5-7-14-9-13-10-15-11-17(13)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine?
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 63001825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).