cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride

C10H22Cl2N2 — CID 66680564

IUPACcis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C10H20N2.2ClH/c11-9-5-1-2-6-10(9)12-7-3-4-8-12;;/h9-10H,1-8,11H2;2*1H/t9-,10+;;/m1../s1
InChIKeyQBZQNLICFXYKRL-NKRBYZSKSA-N
MW241.21 g/mol
LogP2.20
Rot. Bonds1

About cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride

cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride (PubChem CID 66680564) has the molecular formula C10H22Cl2N2 and a molecular weight of 241.21 g/mol. Its IUPAC name is cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
PubChem CID66680564
Molecular FormulaC10H22Cl2N2
Molecular Weight241.21 g/mol
Exact Mass240.12
IUPAC Namecis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C10H20N2.2ClH/c11-9-5-1-2-6-10(9)12-7-3-4-8-12;;/h9-10H,1-8,11H2;2*1H/t9-,10+;;/m1../s1
InChIKeyQBZQNLICFXYKRL-NKRBYZSKSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
The IUPAC name of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride (CID 66680564) is cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
The canonical SMILES for cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
The InChIKey is QBZQNLICFXYKRL-NKRBYZSKSA-N. The full InChI is InChI=1S/C10H20N2.2ClH/c11-9-5-1-2-6-10(9)12-7-3-4-8-12;;/h9-10H,1-8,11H2;2*1H/t9-,10+;;/m1../s1.
What are the key properties of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride has a molecular weight of 241.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 66680564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).