7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C14H20N2 — CID 105470440

IUPAC7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESNc1cccc2c1CC(CNC1CC1)CC2
InChIInChI=1S/C14H20N2/c15-14-3-1-2-11-5-4-10(8-13(11)14)9-16-12-6-7-12/h1-3,10,12,16H,4-9,15H2
InChIKeyUEOKYCNLEKHWOZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.13
Rot. Bonds3

About 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 105470440) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID105470440
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESNc1cccc2c1CC(CNC1CC1)CC2
InChIInChI=1S/C14H20N2/c15-14-3-1-2-11-5-4-10(8-13(11)14)9-16-12-6-7-12/h1-3,10,12,16H,4-9,15H2
InChIKeyUEOKYCNLEKHWOZ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 105470440) is 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is Nc1cccc2c1CC(CNC1CC1)CC2.
What is the InChIKey of 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is UEOKYCNLEKHWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-14-3-1-2-11-5-4-10(8-13(11)14)9-16-12-6-7-12/h1-3,10,12,16H,4-9,15H2.
What are the key properties of 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 105470440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).