N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine

C13H24N2 — CID 98119463

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C13H24N2/c1-15-6-4-12(5-7-15)14-13-9-10-2-3-11(13)8-10/h10-14H,2-9H2,1H3/t10-,11-,13-/m1/s1
InChIKeyYYZORSJIGXJVRI-NQBHXWOUSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds2

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine (PubChem CID 98119463) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
PubChem CID98119463
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C13H24N2/c1-15-6-4-12(5-7-15)14-13-9-10-2-3-11(13)8-10/h10-14H,2-9H2,1H3/t10-,11-,13-/m1/s1
InChIKeyYYZORSJIGXJVRI-NQBHXWOUSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
CID 124710062
N-(2-cyclopropylcyclopropyl)-1-methylpiperidin-4-amine
CID 130637185
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine
CID 131031507
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722
1-N-(2-bicyclo[2.2.1]heptanyl)-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897267
1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidin-4-amine
CID 43392317
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 21383086
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
1-methyl-N-(2-methylcyclopentyl)azepan-4-amine
CID 65075133
N-(2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364632

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine (CID 98119463) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine is CN1CCC(N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine?
The InChIKey is YYZORSJIGXJVRI-NQBHXWOUSA-N. The full InChI is InChI=1S/C13H24N2/c1-15-6-4-12(5-7-15)14-13-9-10-2-3-11(13)8-10/h10-14H,2-9H2,1H3/t10-,11-,13-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 98119463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).