N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine

C15H21N3O — CID 43608514

IUPACN-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
SMILESc1ccc2c(c1)ncn2CCCNC1CCOCC1
InChIInChI=1S/C15H21N3O/c1-2-5-15-14(4-1)17-12-18(15)9-3-8-16-13-6-10-19-11-7-13/h1-2,4-5,12-13,16H,3,6-11H2
InChIKeyHWHKYDCXMLIMRK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine

N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine (PubChem CID 43608514) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
PubChem CID43608514
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
SMILESc1ccc2c(c1)ncn2CCCNC1CCOCC1
InChIInChI=1S/C15H21N3O/c1-2-5-15-14(4-1)17-12-18(15)9-3-8-16-13-6-10-19-11-7-13/h1-2,4-5,12-13,16H,3,6-11H2
InChIKeyHWHKYDCXMLIMRK-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
CID 28660029
N-[3-(benzimidazol-1-yl)propyl]thian-3-amine
CID 62872143
N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine
CID 115335614
N-[3-(benzimidazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 60708513
N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80693050
N-[3-(benzimidazol-1-yl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121675
2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797737
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 86994064

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine (CID 43608514) is N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine is c1ccc2c(c1)ncn2CCCNC1CCOCC1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine?
The InChIKey is HWHKYDCXMLIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-5-15-14(4-1)17-12-18(15)9-3-8-16-13-6-10-19-11-7-13/h1-2,4-5,12-13,16H,3,6-11H2.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine?
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine is sourced from PubChem (CID 43608514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).