(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

C17H30N2O — CID 82768525

IUPAC(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESCC1(C(=O)N2CCC3(CCCCC3)CC2)CCCC1N
InChIInChI=1S/C17H30N2O/c1-16(7-5-6-14(16)18)15(20)19-12-10-17(11-13-19)8-3-2-4-9-17/h14H,2-13,18H2,1H3
InChIKeyPTONZFUETSOXCV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.08
Rot. Bonds1

About (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (PubChem CID 82768525) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
PubChem CID82768525
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESCC1(C(=O)N2CCC3(CCCCC3)CC2)CCCC1N
InChIInChI=1S/C17H30N2O/c1-16(7-5-6-14(16)18)15(20)19-12-10-17(11-13-19)8-3-2-4-9-17/h14H,2-13,18H2,1H3
InChIKeyPTONZFUETSOXCV-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
CID 82765902
1-(2-amino-1-methylcyclopentanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 82763485
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
CID 82767352
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
1-(2-amino-1-methylcyclopentanecarbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981585
(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220062
3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 82768558
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088
(2-amino-1-methylcyclopentyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313977

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (CID 82768525) is (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is CC1(C(=O)N2CCC3(CCCCC3)CC2)CCCC1N.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is PTONZFUETSOXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(7-5-6-14(16)18)15(20)19-12-10-17(11-13-19)8-3-2-4-9-17/h14H,2-13,18H2,1H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 82768525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).