[7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone

C22H41N3O2 — CID 156820431

IUPAC[7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone
SMILESCC(C)COCC1CCC(C(=O)N2CC3(CCN(CCCN)CC3)C2)CC1
InChIInChI=1S/C22H41N3O2/c1-18(2)14-27-15-19-4-6-20(7-5-19)21(26)25-16-22(17-25)8-12-24(13-9-22)11-3-10-23/h18-20H,3-17,23H2,1-2H3
InChIKeyDRIBNTVCQDDORI-UHFFFAOYSA-N
MW379.59 g/mol
LogP2.74
Rot. Bonds8

About [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone

[7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone (PubChem CID 156820431) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone
PubChem CID156820431
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Name[7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone
SMILESCC(C)COCC1CCC(C(=O)N2CC3(CCN(CCCN)CC3)C2)CC1
InChIInChI=1S/C22H41N3O2/c1-18(2)14-27-15-19-4-6-20(7-5-19)21(26)25-16-22(17-25)8-12-24(13-9-22)11-3-10-23/h18-20H,3-17,23H2,1-2H3
InChIKeyDRIBNTVCQDDORI-UHFFFAOYSA-N
XLogP2.74
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone with MolForge

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Related Compounds

cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
(1-propan-2-ylazetidin-3-yl)-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 170185292
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484588
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 170185294
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683765

Frequently Asked Questions

What is the IUPAC name of [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone?
The IUPAC name of [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone (CID 156820431) is [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone.
What is the SMILES notation for [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone?
The canonical SMILES for [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone is CC(C)COCC1CCC(C(=O)N2CC3(CCN(CCCN)CC3)C2)CC1.
What is the InChIKey of [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone?
The InChIKey is DRIBNTVCQDDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-18(2)14-27-15-19-4-6-20(7-5-19)21(26)25-16-22(17-25)8-12-24(13-9-22)11-3-10-23/h18-20H,3-17,23H2,1-2H3.
What are the key properties of [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone?
[7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone has a molecular weight of 379.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-aminopropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(2-methylpropoxymethyl)cyclohexyl]methanone is sourced from PubChem (CID 156820431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).