N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine

C20H30N4O — CID 167872712

IUPACN,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine
SMILESCN(C)CC1COC2(CCCC2)CN1Cc1cccc2c1ncn2C
InChIInChI=1S/C20H30N4O/c1-22(2)12-17-13-25-20(9-4-5-10-20)14-24(17)11-16-7-6-8-18-19(16)21-15-23(18)3/h6-8,15,17H,4-5,9-14H2,1-3H3
InChIKeyLFNDAYGYPDJLCS-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.65
Rot. Bonds4

About N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine

N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine (PubChem CID 167872712) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine
PubChem CID167872712
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine
SMILESCN(C)CC1COC2(CCCC2)CN1Cc1cccc2c1ncn2C
InChIInChI=1S/C20H30N4O/c1-22(2)12-17-13-25-20(9-4-5-10-20)14-24(17)11-16-7-6-8-18-19(16)21-15-23(18)3/h6-8,15,17H,4-5,9-14H2,1-3H3
InChIKeyLFNDAYGYPDJLCS-UHFFFAOYSA-N
XLogP2.65
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine (CID 167872712) is N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine is CN(C)CC1COC2(CCCC2)CN1Cc1cccc2c1ncn2C.
What is the InChIKey of N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine?
The InChIKey is LFNDAYGYPDJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-22(2)12-17-13-25-20(9-4-5-10-20)14-24(17)11-16-7-6-8-18-19(16)21-15-23(18)3/h6-8,15,17H,4-5,9-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine?
N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine has a molecular weight of 342.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine is sourced from PubChem (CID 167872712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).