N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride

C10H18ClN2- — CID 45107134

IUPACN-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride
SMILESC1CCC(NC2=NCCC2)CC1.[Cl-]
InChIInChI=1S/C10H18N2.ClH/c1-2-5-9(6-3-1)12-10-7-4-8-11-10;/h9H,1-8H2,(H,11,12);1H/p-1
InChIKeyBUOXRFKQJRBAPJ-UHFFFAOYSA-M
MW201.72 g/mol
LogP-0.89
Rot. Bonds1

About N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride

N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride (PubChem CID 45107134) has the molecular formula C10H18ClN2- and a molecular weight of 201.72 g/mol. Its IUPAC name is N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride.

Molecular Properties

Compound NameN-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride
PubChem CID45107134
Molecular FormulaC10H18ClN2-
Molecular Weight201.72 g/mol
Exact Mass201.12
IUPAC NameN-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride
SMILESC1CCC(NC2=NCCC2)CC1.[Cl-]
InChIInChI=1S/C10H18N2.ClH/c1-2-5-9(6-3-1)12-10-7-4-8-11-10;/h9H,1-8H2,(H,11,12);1H/p-1
InChIKeyBUOXRFKQJRBAPJ-UHFFFAOYSA-M
XLogP-0.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride?
The IUPAC name of N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride (CID 45107134) is N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride.
What is the SMILES notation for N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride?
The canonical SMILES for N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride is C1CCC(NC2=NCCC2)CC1.[Cl-].
What is the InChIKey of N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride?
The InChIKey is BUOXRFKQJRBAPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2.ClH/c1-2-5-9(6-3-1)12-10-7-4-8-11-10;/h9H,1-8H2,(H,11,12);1H/p-1.
What are the key properties of N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride?
N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride has a molecular weight of 201.72 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine chloride is sourced from PubChem (CID 45107134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).