N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine

C12H21N3 — CID 63927583

IUPACN-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
SMILESCCCC1CCc2nc(CNC)[nH]c2C1
InChIInChI=1S/C12H21N3/c1-3-4-9-5-6-10-11(7-9)15-12(14-10)8-13-2/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKKPYUWJXLKISFI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine

N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine (PubChem CID 63927583) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
PubChem CID63927583
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
SMILESCCCC1CCc2nc(CNC)[nH]c2C1
InChIInChI=1S/C12H21N3/c1-3-4-9-5-6-10-11(7-9)15-12(14-10)8-13-2/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKKPYUWJXLKISFI-UHFFFAOYSA-N
XLogP2.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine (CID 63927583) is N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine is CCCC1CCc2nc(CNC)[nH]c2C1.
What is the InChIKey of N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
The InChIKey is KKPYUWJXLKISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-9-5-6-10-11(7-9)15-12(14-10)8-13-2/h9,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine is sourced from PubChem (CID 63927583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).