3,4,5,6,7,8-hexahydronaphthalen-2-amine

C10H15N — CID 67951498

IUPAC3,4,5,6,7,8-hexahydronaphthalen-2-amine
SMILESNC1=CC2=C(CCCC2)CC1
InChIInChI=1S/C10H15N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h7H,1-6,11H2
InChIKeyDWAULZCDIDAQJD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.49
Rot. Bonds

About 3,4,5,6,7,8-hexahydronaphthalen-2-amine

3,4,5,6,7,8-hexahydronaphthalen-2-amine (PubChem CID 67951498) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexahydronaphthalen-2-amine.

Molecular Properties

Compound Name3,4,5,6,7,8-hexahydronaphthalen-2-amine
PubChem CID67951498
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,4,5,6,7,8-hexahydronaphthalen-2-amine
SMILESNC1=CC2=C(CCCC2)CC1
InChIInChI=1S/C10H15N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h7H,1-6,11H2
InChIKeyDWAULZCDIDAQJD-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8-hexahydronaphthalen-2-amine?
The IUPAC name of 3,4,5,6,7,8-hexahydronaphthalen-2-amine (CID 67951498) is 3,4,5,6,7,8-hexahydronaphthalen-2-amine.
What is the SMILES notation for 3,4,5,6,7,8-hexahydronaphthalen-2-amine?
The canonical SMILES for 3,4,5,6,7,8-hexahydronaphthalen-2-amine is NC1=CC2=C(CCCC2)CC1.
What is the InChIKey of 3,4,5,6,7,8-hexahydronaphthalen-2-amine?
The InChIKey is DWAULZCDIDAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h7H,1-6,11H2.
What are the key properties of 3,4,5,6,7,8-hexahydronaphthalen-2-amine?
3,4,5,6,7,8-hexahydronaphthalen-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8-hexahydronaphthalen-2-amine is sourced from PubChem (CID 67951498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).