N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

C21H28N4 — CID 97451205

IUPACN-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCN(Cc1ccccn1)C1CC2(CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C21H28N4/c1-24(16-18-6-2-4-10-22-18)20-14-21(15-20)8-12-25(13-9-21)17-19-7-3-5-11-23-19/h2-7,10-11,20H,8-9,12-17H2,1H3
InChIKeyORXQFGVPLZJZNI-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 97451205) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound NameN-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID97451205
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC NameN-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCN(Cc1ccccn1)C1CC2(CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C21H28N4/c1-24(16-18-6-2-4-10-22-18)20-14-21(15-20)8-12-25(13-9-21)17-19-7-3-5-11-23-19/h2-7,10-11,20H,8-9,12-17H2,1H3
InChIKeyORXQFGVPLZJZNI-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451210
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 97451304
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118747096
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (CID 97451205) is N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is CN(Cc1ccccn1)C1CC2(CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is ORXQFGVPLZJZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-24(16-18-6-2-4-10-22-18)20-14-21(15-20)8-12-25(13-9-21)17-19-7-3-5-11-23-19/h2-7,10-11,20H,8-9,12-17H2,1H3.
What are the key properties of N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 336.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 97451205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).