2,3,4,4a,5,6-hexahydronaphthalen-1-amine

C10H15N — CID 67951690

IUPAC2,3,4,4a,5,6-hexahydronaphthalen-1-amine
SMILESNC1=C2C=CCCC2CCC1
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h2,6,8H,1,3-5,7,11H2
InChIKeyWUWKBCNWBSRTHX-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.35
Rot. Bonds

About 2,3,4,4a,5,6-hexahydronaphthalen-1-amine

2,3,4,4a,5,6-hexahydronaphthalen-1-amine (PubChem CID 67951690) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydronaphthalen-1-amine
PubChem CID67951690
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,3,4,4a,5,6-hexahydronaphthalen-1-amine
SMILESNC1=C2C=CCCC2CCC1
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h2,6,8H,1,3-5,7,11H2
InChIKeyWUWKBCNWBSRTHX-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydronaphthalen-1-amine?
The IUPAC name of 2,3,4,4a,5,6-hexahydronaphthalen-1-amine (CID 67951690) is 2,3,4,4a,5,6-hexahydronaphthalen-1-amine.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydronaphthalen-1-amine?
The canonical SMILES for 2,3,4,4a,5,6-hexahydronaphthalen-1-amine is NC1=C2C=CCCC2CCC1.
What is the InChIKey of 2,3,4,4a,5,6-hexahydronaphthalen-1-amine?
The InChIKey is WUWKBCNWBSRTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h2,6,8H,1,3-5,7,11H2.
What are the key properties of 2,3,4,4a,5,6-hexahydronaphthalen-1-amine?
2,3,4,4a,5,6-hexahydronaphthalen-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydronaphthalen-1-amine is sourced from PubChem (CID 67951690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).