8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C14H20N2 — CID 105470438

IUPAC8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)C(CNC1CC1)CCC2
InChIInChI=1S/C14H20N2/c15-12-5-4-10-2-1-3-11(14(10)8-12)9-16-13-6-7-13/h4-5,8,11,13,16H,1-3,6-7,9,15H2
InChIKeyODRNSOPNYLXUEJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.44
Rot. Bonds3

About 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 105470438) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID105470438
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)C(CNC1CC1)CCC2
InChIInChI=1S/C14H20N2/c15-12-5-4-10-2-1-3-11(14(10)8-12)9-16-13-6-7-13/h4-5,8,11,13,16H,1-3,6-7,9,15H2
InChIKeyODRNSOPNYLXUEJ-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 105470438) is 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is Nc1ccc2c(c1)C(CNC1CC1)CCC2.
What is the InChIKey of 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is ODRNSOPNYLXUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-12-5-4-10-2-1-3-11(14(10)8-12)9-16-13-6-7-13/h4-5,8,11,13,16H,1-3,6-7,9,15H2.
What are the key properties of 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 105470438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).