3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C16H31Cl2N3O — CID 119830078

IUPAC3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)C2C3CCC(C3)C2N)CCCC1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-19(2)16(7-3-4-8-16)10-18-15(20)13-11-5-6-12(9-11)14(13)17;;/h11-14H,3-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyLNVIKUNTKHPJAI-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119830078) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119830078
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Name3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)C2C3CCC(C3)C2N)CCCC1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-19(2)16(7-3-4-8-16)10-18-15(20)13-11-5-6-12(9-11)14(13)17;;/h11-14H,3-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyLNVIKUNTKHPJAI-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119830078) is 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is CN(C)C1(CNC(=O)C2C3CCC(C3)C2N)CCCC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is LNVIKUNTKHPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c1-19(2)16(7-3-4-8-16)10-18-15(20)13-11-5-6-12(9-11)14(13)17;;/h11-14H,3-10,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119830078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).