N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine

C27H47N7O — CID 68900371

IUPACN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine
SMILESCOCCn1ccnc1CN(C)Cc1nccn1CCCN1CCC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C27H47N7O/c1-24(2)20-31-13-6-27(7-14-31)8-15-32(23-27)11-5-12-33-16-9-28-25(33)21-30(3)22-26-29-10-17-34(26)18-19-35-4/h9-10,16-17,24H,5-8,11-15,18-23H2,1-4H3
InChIKeyNMTFXJHBBVNGCG-UHFFFAOYSA-N
MW485.72 g/mol
LogP3.19
Rot. Bonds13

About N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine (PubChem CID 68900371) has the molecular formula C27H47N7O and a molecular weight of 485.72 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine
PubChem CID68900371
Molecular FormulaC27H47N7O
Molecular Weight485.72 g/mol
Exact Mass485.38
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine
SMILESCOCCn1ccnc1CN(C)Cc1nccn1CCCN1CCC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C27H47N7O/c1-24(2)20-31-13-6-27(7-14-31)8-15-32(23-27)11-5-12-33-16-9-28-25(33)21-30(3)22-26-29-10-17-34(26)18-19-35-4/h9-10,16-17,24H,5-8,11-15,18-23H2,1-4H3
InChIKeyNMTFXJHBBVNGCG-UHFFFAOYSA-N
XLogP3.19
TPSA54.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.72
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine (CID 68900371) is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine is COCCn1ccnc1CN(C)Cc1nccn1CCCN1CCC2(CCN(CC(C)C)CC2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine?
The InChIKey is NMTFXJHBBVNGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N7O/c1-24(2)20-31-13-6-27(7-14-31)8-15-32(23-27)11-5-12-33-16-9-28-25(33)21-30(3)22-26-29-10-17-34(26)18-19-35-4/h9-10,16-17,24H,5-8,11-15,18-23H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine?
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine has a molecular weight of 485.72 g/mol, XLogP of 3.19, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 68900371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).