4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine

C15H31N3 — CID 63171716

IUPAC4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
SMILESCC(N)C(N1CCC(N2CCCC2)C1)C(C)(C)C
InChIInChI=1S/C15H31N3/c1-12(16)14(15(2,3)4)18-10-7-13(11-18)17-8-5-6-9-17/h12-14H,5-11,16H2,1-4H3
InChIKeyFJAQVKGSKQOKNP-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine

4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine (PubChem CID 63171716) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
PubChem CID63171716
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
SMILESCC(N)C(N1CCC(N2CCCC2)C1)C(C)(C)C
InChIInChI=1S/C15H31N3/c1-12(16)14(15(2,3)4)18-10-7-13(11-18)17-8-5-6-9-17/h12-14H,5-11,16H2,1-4H3
InChIKeyFJAQVKGSKQOKNP-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 130220331
1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171978
3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357229
3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine
CID 62089682
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104830147
1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171849
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine?
The IUPAC name of 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine (CID 63171716) is 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine is CC(N)C(N1CCC(N2CCCC2)C1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine?
The InChIKey is FJAQVKGSKQOKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(16)14(15(2,3)4)18-10-7-13(11-18)17-8-5-6-9-17/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine?
4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine has a molecular weight of 253.43 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 4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine is sourced from PubChem (CID 63171716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).