3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C15H27ClN2O — CID 119822130

IUPAC3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCCC1(CNC(=O)C2C3CCC(C3)C2N)CC1.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-2-5-15(6-7-15)9-17-14(18)12-10-3-4-11(8-10)13(12)16;/h10-13H,2-9,16H2,1H3,(H,17,18);1H
InChIKeyISNNRQYOQMAAAK-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.48
Rot. Bonds5

About 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119822130) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119822130
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCCC1(CNC(=O)C2C3CCC(C3)C2N)CC1.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-2-5-15(6-7-15)9-17-14(18)12-10-3-4-11(8-10)13(12)16;/h10-13H,2-9,16H2,1H3,(H,17,18);1H
InChIKeyISNNRQYOQMAAAK-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830078
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120
1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445947
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119698155
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119896456
2-amino-N-[(1-propylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103813071
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
CID 114100654
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106116632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119822130) is 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCCC1(CNC(=O)C2C3CCC(C3)C2N)CC1.Cl.
What is the InChIKey of 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is ISNNRQYOQMAAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-2-5-15(6-7-15)9-17-14(18)12-10-3-4-11(8-10)13(12)16;/h10-13H,2-9,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119822130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).