N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine

C12H21N3 — CID 79847683

IUPACN-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c([nH]1)CCCC2(C)C
InChIInChI=1S/C12H21N3/c1-4-13-8-10-14-9-6-5-7-12(2,3)11(9)15-10/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyNPIJKRUZWBKBJX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds3

About N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine

N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine (PubChem CID 79847683) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine
PubChem CID79847683
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c([nH]1)CCCC2(C)C
InChIInChI=1S/C12H21N3/c1-4-13-8-10-14-9-6-5-7-12(2,3)11(9)15-10/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyNPIJKRUZWBKBJX-UHFFFAOYSA-N
XLogP2.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine (CID 79847683) is N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine is CCNCc1nc2c([nH]1)CCCC2(C)C.
What is the InChIKey of N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is NPIJKRUZWBKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-13-8-10-14-9-6-5-7-12(2,3)11(9)15-10/h13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine?
N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79847683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).