N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine

C15H21N3 — CID 63106717

IUPACN-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
SMILESCCc1nc2ccccc2n1CCCNC1CC1
InChIInChI=1S/C15H21N3/c1-2-15-17-13-6-3-4-7-14(13)18(15)11-5-10-16-12-8-9-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyFQXOHKMORQDZEG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine

N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine (PubChem CID 63106717) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
PubChem CID63106717
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
SMILESCCc1nc2ccccc2n1CCCNC1CC1
InChIInChI=1S/C15H21N3/c1-2-15-17-13-6-3-4-7-14(13)18(15)11-5-10-16-12-8-9-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyFQXOHKMORQDZEG-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine (CID 63106717) is N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine is CCc1nc2ccccc2n1CCCNC1CC1.
What is the InChIKey of N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine?
The InChIKey is FQXOHKMORQDZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-15-17-13-6-3-4-7-14(13)18(15)11-5-10-16-12-8-9-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3.
What are the key properties of N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine?
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 63106717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).