N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine

C15H21N3O — CID 78960182

IUPACN-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C15H21N3O/c1-15(2)9-11(7-8-19-15)16-10-14-17-12-5-3-4-6-13(12)18-14/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyLSDVNNHLNYHQAG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine

N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine (PubChem CID 78960182) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
PubChem CID78960182
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C15H21N3O/c1-15(2)9-11(7-8-19-15)16-10-14-17-12-5-3-4-6-13(12)18-14/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyLSDVNNHLNYHQAG-UHFFFAOYSA-N
XLogP2.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
N-(1H-benzimidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 78954108
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine (CID 78960182) is N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2nc3ccccc3[nH]2)CCO1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine?
The InChIKey is LSDVNNHLNYHQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)9-11(7-8-19-15)16-10-14-17-12-5-3-4-6-13(12)18-14/h3-6,11,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine?
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 78960182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).