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

C27H43N5 — CID 68899325

IUPACN-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine
SMILESCC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1ccccc1)C2
InChIInChI=1S/C27H43N5/c1-24(2)20-30-16-10-27(11-17-30)12-18-31(23-27)14-7-15-32-19-13-28-26(32)22-29(3)21-25-8-5-4-6-9-25/h4-6,8-9,13,19,24H,7,10-12,14-18,20-23H2,1-3H3
InChIKeyDAHVWNRSHHYFCW-UHFFFAOYSA-N
MW437.68 g/mol
LogP4.35
Rot. Bonds10

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

N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 68899325) has the molecular formula C27H43N5 and a molecular weight of 437.68 g/mol. Its IUPAC name is N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID68899325
Molecular FormulaC27H43N5
Molecular Weight437.68 g/mol
Exact Mass437.35
IUPAC NameN-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine
SMILESCC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1ccccc1)C2
InChIInChI=1S/C27H43N5/c1-24(2)20-30-16-10-27(11-17-30)12-18-31(23-27)14-7-15-32-19-13-28-26(32)22-29(3)21-25-8-5-4-6-9-25/h4-6,8-9,13,19,24H,7,10-12,14-18,20-23H2,1-3H3
InChIKeyDAHVWNRSHHYFCW-UHFFFAOYSA-N
XLogP4.35
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine (CID 68899325) is N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine is CC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1ccccc1)C2.
What is the InChIKey of N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is DAHVWNRSHHYFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5/c1-24(2)20-30-16-10-27(11-17-30)12-18-31(23-27)14-7-15-32-19-13-28-26(32)22-29(3)21-25-8-5-4-6-9-25/h4-6,8-9,13,19,24H,7,10-12,14-18,20-23H2,1-3H3.
What are the key properties of N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine?
N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 437.68 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 68899325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).