(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride

C13H25ClN2O — CID 119328203

IUPAC(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2(N)CCCCC2)CC1C.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10-8-15(9-11(10)2)12(16)13(14)6-4-3-5-7-13;/h10-11H,3-9,14H2,1-2H3;1H
InChIKeyCSNCPFCDUPHEEF-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.18
Rot. Bonds1

About (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride

(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119328203) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119328203
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2(N)CCCCC2)CC1C.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10-8-15(9-11(10)2)12(16)13(14)6-4-3-5-7-13;/h10-11H,3-9,14H2,1-2H3;1H
InChIKeyCSNCPFCDUPHEEF-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride (CID 119328203) is (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride is CC1CN(C(=O)C2(N)CCCCC2)CC1C.Cl.
What is the InChIKey of (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is CSNCPFCDUPHEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-10-8-15(9-11(10)2)12(16)13(14)6-4-3-5-7-13;/h10-11H,3-9,14H2,1-2H3;1H.
What are the key properties of (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119328203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).