3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine

C22H30N4 — CID 97147788

IUPAC3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
SMILESCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3N)CC2)C1
InChIInChI=1S/C22H30N4/c1-25-15-20(18-6-3-2-4-7-18)14-22(17-25)9-12-26(13-10-22)16-19-8-5-11-24-21(19)23/h2-8,11,20H,9-10,12-17H2,1H3,(H2,23,24)/t20-/m0/s1
InChIKeyHXWBXMBDZKLIAW-FQEVSTJZSA-N
MW350.51 g/mol
LogP3.37
Rot. Bonds3

About 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine

3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine (PubChem CID 97147788) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
PubChem CID97147788
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
SMILESCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3N)CC2)C1
InChIInChI=1S/C22H30N4/c1-25-15-20(18-6-3-2-4-7-18)14-22(17-25)9-12-26(13-10-22)16-19-8-5-11-24-21(19)23/h2-8,11,20H,9-10,12-17H2,1H3,(H2,23,24)/t20-/m0/s1
InChIKeyHXWBXMBDZKLIAW-FQEVSTJZSA-N
XLogP3.37
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72924688
5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
CID 97130325
6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine
CID 97132754
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine (CID 97147788) is 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine is CN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3N)CC2)C1.
What is the InChIKey of 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine?
The InChIKey is HXWBXMBDZKLIAW-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4/c1-25-15-20(18-6-3-2-4-7-18)14-22(17-25)9-12-26(13-10-22)16-19-8-5-11-24-21(19)23/h2-8,11,20H,9-10,12-17H2,1H3,(H2,23,24)/t20-/m0/s1.
What are the key properties of 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine?
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine has a molecular weight of 350.51 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 97147788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).