N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine

C16H29N3 — CID 83045708

IUPACN-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1cnc2c1CCCC2
InChIInChI=1S/C16H29N3/c1-5-8-13(11-18-16(2,3)4)19-12-17-14-9-6-7-10-15(14)19/h12-13,18H,5-11H2,1-4H3
InChIKeyLOCHVXWXHDZDIN-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.49
Rot. Bonds5

About N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine

N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine (PubChem CID 83045708) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine
PubChem CID83045708
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1cnc2c1CCCC2
InChIInChI=1S/C16H29N3/c1-5-8-13(11-18-16(2,3)4)19-12-17-14-9-6-7-10-15(14)19/h12-13,18H,5-11H2,1-4H3
InChIKeyLOCHVXWXHDZDIN-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine (CID 83045708) is N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)n1cnc2c1CCCC2.
What is the InChIKey of N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine?
The InChIKey is LOCHVXWXHDZDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-8-13(11-18-16(2,3)4)19-12-17-14-9-6-7-10-15(14)19/h12-13,18H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine?
N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine is sourced from PubChem (CID 83045708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).