N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine

C16H26N4 — CID 103641544

IUPACN'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1nc2ccccc2n1C
InChIInChI=1S/C16H26N4/c1-5-13(2)19(3)11-10-17-12-16-18-14-8-6-7-9-15(14)20(16)4/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyXVVPEACEQFPLDQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.39
Rot. Bonds7

About N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 103641544) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID103641544
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1nc2ccccc2n1C
InChIInChI=1S/C16H26N4/c1-5-13(2)19(3)11-10-17-12-16-18-14-8-6-7-9-15(14)20(16)4/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyXVVPEACEQFPLDQ-UHFFFAOYSA-N
XLogP2.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.39
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'-cyclopropyl-N'-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641500
N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
CID 63002029
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine (CID 103641544) is N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine is CCC(C)N(C)CCNCc1nc2ccccc2n1C.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is XVVPEACEQFPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-13(2)19(3)11-10-17-12-16-18-14-8-6-7-9-15(14)20(16)4/h6-9,13,17H,5,10-12H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103641544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).