5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride

C16H27ClN4 — CID 120908695

IUPAC5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCC3(CCNC3)C2)cn1.Cl
InChIInChI=1S/C16H26N4.ClH/c1-3-19(2)15-5-4-14(10-18-15)11-20-9-7-16(13-20)6-8-17-12-16;/h4-5,10,17H,3,6-9,11-13H2,1-2H3;1H
InChIKeySZSQVVLZIRQVBX-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.14
Rot. Bonds4

About 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride

5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride (PubChem CID 120908695) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
PubChem CID120908695
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCC3(CCNC3)C2)cn1.Cl
InChIInChI=1S/C16H26N4.ClH/c1-3-19(2)15-5-4-14(10-18-15)11-20-9-7-16(13-20)6-8-17-12-16;/h4-5,10,17H,3,6-9,11-13H2,1-2H3;1H
InChIKeySZSQVVLZIRQVBX-UHFFFAOYSA-N
XLogP2.14
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908652
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
2-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-8-methylimidazo[1,2-a]pyridine;hydrochloride
CID 120908582
2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908350
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride (CID 120908695) is 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride is CCN(C)c1ccc(CN2CCC3(CCNC3)C2)cn1.Cl.
What is the InChIKey of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The InChIKey is SZSQVVLZIRQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.ClH/c1-3-19(2)15-5-4-14(10-18-15)11-20-9-7-16(13-20)6-8-17-12-16;/h4-5,10,17H,3,6-9,11-13H2,1-2H3;1H.
What are the key properties of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120908695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).