N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine

C17H23N3 — CID 63927603

IUPACN-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2c([nH]1)CC(C)(C)c1ccccc1-2
InChIInChI=1S/C17H23N3/c1-11(2)18-10-15-19-14-9-17(3,4)13-8-6-5-7-12(13)16(14)20-15/h5-8,11,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyJYQVOHNDIGABDM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.41
Rot. Bonds3

About N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine

N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 63927603) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine
PubChem CID63927603
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2c([nH]1)CC(C)(C)c1ccccc1-2
InChIInChI=1S/C17H23N3/c1-11(2)18-10-15-19-14-9-17(3,4)13-8-6-5-7-12(13)16(14)20-15/h5-8,11,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyJYQVOHNDIGABDM-UHFFFAOYSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine (CID 63927603) is N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc2c([nH]1)CC(C)(C)c1ccccc1-2.
What is the InChIKey of N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is JYQVOHNDIGABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11(2)18-10-15-19-14-9-17(3,4)13-8-6-5-7-12(13)16(14)20-15/h5-8,11,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine?
N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyl-3,4-dihydrobenzo[e]benzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63927603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).