1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine

C14H19N — CID 68588811

IUPAC1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine
SMILESNC1CCCC2C1=CC=C1C=CCCC12
InChIInChI=1S/C14H19N/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1,4,8-9,11-12,14H,2-3,5-7,15H2
InChIKeyVSRWXUHLXOGHCX-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds

About 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine

1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine (PubChem CID 68588811) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine
PubChem CID68588811
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine
SMILESNC1CCCC2C1=CC=C1C=CCCC12
InChIInChI=1S/C14H19N/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1,4,8-9,11-12,14H,2-3,5-7,15H2
InChIKeyVSRWXUHLXOGHCX-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine?
The IUPAC name of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine (CID 68588811) is 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine.
What is the SMILES notation for 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine?
The canonical SMILES for 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine is NC1CCCC2C1=CC=C1C=CCCC12.
What is the InChIKey of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine?
The InChIKey is VSRWXUHLXOGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1,4,8-9,11-12,14H,2-3,5-7,15H2.
What are the key properties of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine?
1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,4b,5,6-octahydrophenanthren-1-amine is sourced from PubChem (CID 68588811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).