N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine

C16H22N4 — CID 118597652

IUPACN-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine
SMILESCN(c1ccc2c(c1)CCC[C@H]2CN)c1ccn(C)n1
InChIInChI=1S/C16H22N4/c1-19-9-8-16(18-19)20(2)14-6-7-15-12(10-14)4-3-5-13(15)11-17/h6-10,13H,3-5,11,17H2,1-2H3/t13-/m0/s1
InChIKeyMUXJFFMFTHSMFZ-ZDUSSCGKSA-N
MW270.38 g/mol
LogP2.57
Rot. Bonds3

About N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine

N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine (PubChem CID 118597652) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine
PubChem CID118597652
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine
SMILESCN(c1ccc2c(c1)CCC[C@H]2CN)c1ccn(C)n1
InChIInChI=1S/C16H22N4/c1-19-9-8-16(18-19)20(2)14-6-7-15-12(10-14)4-3-5-13(15)11-17/h6-10,13H,3-5,11,17H2,1-2H3/t13-/m0/s1
InChIKeyMUXJFFMFTHSMFZ-ZDUSSCGKSA-N
XLogP2.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine?
The IUPAC name of N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine (CID 118597652) is N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine is CN(c1ccc2c(c1)CCC[C@H]2CN)c1ccn(C)n1.
What is the InChIKey of N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine?
The InChIKey is MUXJFFMFTHSMFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-9-8-16(18-19)20(2)14-6-7-15-12(10-14)4-3-5-13(15)11-17/h6-10,13H,3-5,11,17H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine?
N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 118597652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).