N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine

C17H25N3 — CID 103735922

IUPACN-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
SMILESCCCn1c(CNCC2(C)CCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-11-20-15-8-5-4-7-14(15)19-16(20)12-18-13-17(2)9-6-10-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3
InChIKeyNWLMQUWFODZSHI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.73
Rot. Bonds6

About N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine

N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine (PubChem CID 103735922) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
PubChem CID103735922
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
SMILESCCCn1c(CNCC2(C)CCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-11-20-15-8-5-4-7-14(15)19-16(20)12-18-13-17(2)9-6-10-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3
InChIKeyNWLMQUWFODZSHI-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 107267629
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine (CID 103735922) is N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine is CCCn1c(CNCC2(C)CCC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The InChIKey is NWLMQUWFODZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-11-20-15-8-5-4-7-14(15)19-16(20)12-18-13-17(2)9-6-10-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 103735922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).