2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine

C16H31N3 — CID 79855718

IUPAC2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCC(CN2CCC(N3CCCC3)C2)C1N
InChIInChI=1S/C16H31N3/c1-16(2)7-5-13(15(16)17)11-18-10-6-14(12-18)19-8-3-4-9-19/h13-15H,3-12,17H2,1-2H3
InChIKeyGCDKQKSZMBOUEP-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds3

About 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 79855718) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
PubChem CID79855718
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCC(CN2CCC(N3CCCC3)C2)C1N
InChIInChI=1S/C16H31N3/c1-16(2)7-5-13(15(16)17)11-18-10-6-14(12-18)19-8-3-4-9-19/h13-15H,3-12,17H2,1-2H3
InChIKeyGCDKQKSZMBOUEP-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 79843284
5-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865277
2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
CID 81199726
2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
CID 79867057
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cycloheptan-1-amine
CID 79924657
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 66008849
2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 63169189
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853423
5-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865483
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79914347
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine (CID 79855718) is 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine is CC1(C)CCC(CN2CCC(N3CCCC3)C2)C1N.
What is the InChIKey of 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is GCDKQKSZMBOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2)7-5-13(15(16)17)11-18-10-6-14(12-18)19-8-3-4-9-19/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79855718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).