ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine

C22H44N4 — CID 171658070

IUPACethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine
SMILESCC.CN1CCC2(CC1)CN(CC1(C)CCN(CC3(CN)CC3)CC1)C2
InChIInChI=1S/C20H38N4.C2H6/c1-18(5-11-23(12-6-18)15-19(13-21)3-4-19)14-24-16-20(17-24)7-9-22(2)10-8-20;1-2/h3-17,21H2,1-2H3;1-2H3
InChIKeyQIFSXBWUMZDQRS-UHFFFAOYSA-N
MW364.62 g/mol
LogP2.88
Rot. Bonds5

About ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine

ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine (PubChem CID 171658070) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Nameethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine
PubChem CID171658070
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Nameethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine
SMILESCC.CN1CCC2(CC1)CN(CC1(C)CCN(CC3(CN)CC3)CC1)C2
InChIInChI=1S/C20H38N4.C2H6/c1-18(5-11-23(12-6-18)15-19(13-21)3-4-19)14-24-16-20(17-24)7-9-22(2)10-8-20;1-2/h3-17,21H2,1-2H3;1-2H3
InChIKeyQIFSXBWUMZDQRS-UHFFFAOYSA-N
XLogP2.88
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine with MolForge

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Related Compounds

[1-(2-azaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]methanamine
CID 166178279
[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine
CID 63159912
7-methyl-2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 170676348
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine?
The IUPAC name of ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine (CID 171658070) is ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine.
What is the SMILES notation for ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine?
The canonical SMILES for ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine is CC.CN1CCC2(CC1)CN(CC1(C)CCN(CC3(CN)CC3)CC1)C2.
What is the InChIKey of ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine?
The InChIKey is QIFSXBWUMZDQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4.C2H6/c1-18(5-11-23(12-6-18)15-19(13-21)3-4-19)14-24-16-20(17-24)7-9-22(2)10-8-20;1-2/h3-17,21H2,1-2H3;1-2H3.
What are the key properties of ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine?
ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine has a molecular weight of 364.62 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine is sourced from PubChem (CID 171658070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).