3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine

C15H21N3 — CID 115639506

IUPAC3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCn1c(CNCCCC2CC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-18-14-7-3-2-6-13(14)17-15(18)11-16-10-4-5-12-8-9-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeySLUIKRNNHQHRBH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds6

About 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine

3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine (PubChem CID 115639506) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
PubChem CID115639506
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCn1c(CNCCCC2CC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-18-14-7-3-2-6-13(14)17-15(18)11-16-10-4-5-12-8-9-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeySLUIKRNNHQHRBH-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine
CID 119110487
N'-cyclopropyl-N'-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641500
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine
CID 103838563
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine (CID 115639506) is 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine is Cn1c(CNCCCC2CC2)nc2ccccc21.
What is the InChIKey of 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is SLUIKRNNHQHRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-14-7-3-2-6-13(14)17-15(18)11-16-10-4-5-12-8-9-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115639506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).