bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride

C18H38Cl2N4 — CID 173089103

IUPACbis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCCC2)C1.NC1CCN(C2CCCC2)C1
InChIInChI=1S/2C9H18N2.2ClH/c2*10-8-5-6-11(7-8)9-3-1-2-4-9;;/h2*8-9H,1-7,10H2;2*1H
InChIKeyNFUCHHMCTMGOIJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.77
Rot. Bonds2

About bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride

bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride (PubChem CID 173089103) has the molecular formula C18H38Cl2N4 and a molecular weight of 381.44 g/mol. Its IUPAC name is bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride.

Molecular Properties

Compound Namebis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
PubChem CID173089103
Molecular FormulaC18H38Cl2N4
Molecular Weight381.44 g/mol
Exact Mass380.25
IUPAC Namebis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCCC2)C1.NC1CCN(C2CCCC2)C1
InChIInChI=1S/2C9H18N2.2ClH/c2*10-8-5-6-11(7-8)9-3-1-2-4-9;;/h2*8-9H,1-7,10H2;2*1H
InChIKeyNFUCHHMCTMGOIJ-UHFFFAOYSA-N
XLogP2.77
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
1-cyclobutylpiperidin-3-amine
CID 63935163
1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
CID 80552697
(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride
CID 130610551
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
CID 131065558
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320

Frequently Asked Questions

What is the IUPAC name of bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride?
The IUPAC name of bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride (CID 173089103) is bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride.
What is the SMILES notation for bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride?
The canonical SMILES for bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride is Cl.Cl.NC1CCN(C2CCCC2)C1.NC1CCN(C2CCCC2)C1.
What is the InChIKey of bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride?
The InChIKey is NFUCHHMCTMGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2ClH/c2*10-8-5-6-11(7-8)9-3-1-2-4-9;;/h2*8-9H,1-7,10H2;2*1H.
What are the key properties of bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride?
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride has a molecular weight of 381.44 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride is sourced from PubChem (CID 173089103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).