N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C16H27N5 — CID 102991418

IUPACN'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C16H27N5/c1-4-21(10-5-9-20(2)3)11-8-16-18-14-7-6-13(17)12-15(14)19-16/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeyBCMJZWQTUDSOGI-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.96
Rot. Bonds8

About N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991418) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991418
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C16H27N5/c1-4-21(10-5-9-20(2)3)11-8-16-18-14-7-6-13(17)12-15(14)19-16/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeyBCMJZWQTUDSOGI-UHFFFAOYSA-N
XLogP1.96
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991418) is N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is BCMJZWQTUDSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-21(10-5-9-20(2)3)11-8-16-18-14-7-6-13(17)12-15(14)19-16/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 289.43 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).