4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride

C10H22Cl2N2 — CID 119057158

IUPAC4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H20N2.2ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;;/h9-10H,1-8,11H2;2*1H
InChIKeyPGMRURWKCGVVNJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.20
Rot. Bonds1

About 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride

4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride (PubChem CID 119057158) has the molecular formula C10H22Cl2N2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
PubChem CID119057158
Molecular FormulaC10H22Cl2N2
Molecular Weight241.21 g/mol
Exact Mass240.12
IUPAC Name4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H20N2.2ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;;/h9-10H,1-8,11H2;2*1H
InChIKeyPGMRURWKCGVVNJ-UHFFFAOYSA-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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Related Compounds

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CID 62807611
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
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1-cyclopropylpiperidine
CID 10909573
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 58153963
1-(4-aminocyclohexyl)piperidin-4-ol;methane
CID 146013506
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
3-(azocan-1-yl)cyclobutan-1-amine
CID 80561417
3-(azonan-1-yl)cyclobutan-1-amine
CID 130631518
cyclohexane-1,4-diamine;hydrochloride
CID 54599176

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
The IUPAC name of 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride (CID 119057158) is 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride is Cl.Cl.NC1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
The InChIKey is PGMRURWKCGVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;;/h9-10H,1-8,11H2;2*1H.
What are the key properties of 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride?
4-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 4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 119057158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).