3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine

C11H23N3 — CID 167244108

IUPAC3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine
SMILESCN1C(CCCN)NC2CCCCC21
InChIInChI=1S/C11H23N3/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12/h9-11,13H,2-8,12H2,1H3
InChIKeyQXZREDWHEBKWMB-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.90
Rot. Bonds3

About 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine

3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine (PubChem CID 167244108) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine
PubChem CID167244108
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine
SMILESCN1C(CCCN)NC2CCCCC21
InChIInChI=1S/C11H23N3/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12/h9-11,13H,2-8,12H2,1H3
InChIKeyQXZREDWHEBKWMB-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
3-cyclohexylpropan-1-amine;ethane
CID 143945055
2-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylideneamino)ethanamine
CID 136966018
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586
3-[(1R,3R,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-3-yl]propan-1-amine
CID 58758491
4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
CID 63972052
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine
CID 82750292
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82751497
ethane;8-methyl-8-azabicyclo[5.1.0]octane
CID 90889945
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine (CID 167244108) is 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine is CN1C(CCCN)NC2CCCCC21.
What is the InChIKey of 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine?
The InChIKey is QXZREDWHEBKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine?
3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 167244108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).