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

C19H42N4 — CID 172630625

IUPACethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
SMILESCC.CC.CNN1CCC(CN2CC3(CCN(C)CC3)C2)CC1
InChIInChI=1S/C15H30N4.2C2H6/c1-16-19-7-3-14(4-8-19)11-18-12-15(13-18)5-9-17(2)10-6-15;2*1-2/h14,16H,3-13H2,1-2H3;2*1-2H3
InChIKeyYDQPUXAIYKVWQB-UHFFFAOYSA-N
MW326.57 g/mol
LogP2.91
Rot. Bonds3

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

ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine (PubChem CID 172630625) has the molecular formula C19H42N4 and a molecular weight of 326.57 g/mol. Its IUPAC name is ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
PubChem CID172630625
Molecular FormulaC19H42N4
Molecular Weight326.57 g/mol
Exact Mass326.34
IUPAC Nameethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
SMILESCC.CC.CNN1CCC(CN2CC3(CCN(C)CC3)C2)CC1
InChIInChI=1S/C15H30N4.2C2H6/c1-16-19-7-3-14(4-8-19)11-18-12-15(13-18)5-9-17(2)10-6-15;2*1-2/h14,16H,3-13H2,1-2H3;2*1-2H3
InChIKeyYDQPUXAIYKVWQB-UHFFFAOYSA-N
XLogP2.91
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine
CID 167474863
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
2-(cyclopropylmethyl)-2-azaspiro[3.4]octane
CID 130694661
7-[[1-(2-methylpentyl)cyclopropyl]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174274966

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine?
The IUPAC name of ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine (CID 172630625) is ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine.
What is the SMILES notation for ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine?
The canonical SMILES for ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine is CC.CC.CNN1CCC(CN2CC3(CCN(C)CC3)C2)CC1.
What is the InChIKey of ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine?
The InChIKey is YDQPUXAIYKVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.2C2H6/c1-16-19-7-3-14(4-8-19)11-18-12-15(13-18)5-9-17(2)10-6-15;2*1-2/h14,16H,3-13H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine?
ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine has a molecular weight of 326.57 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 172630625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).