2,4a,9,9a-tetrahydro-1H-fluoren-9-amine

C13H15N — CID 19915411

IUPAC2,4a,9,9a-tetrahydro-1H-fluoren-9-amine
SMILESNC1c2ccccc2C2C=CCCC12
InChIInChI=1S/C13H15N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-3,5-7,10,12-13H,4,8,14H2
InChIKeyXAZYIQNZSQAPBU-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.75
Rot. Bonds

About 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine

2,4a,9,9a-tetrahydro-1H-fluoren-9-amine (PubChem CID 19915411) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine.

Molecular Properties

Compound Name2,4a,9,9a-tetrahydro-1H-fluoren-9-amine
PubChem CID19915411
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2,4a,9,9a-tetrahydro-1H-fluoren-9-amine
SMILESNC1c2ccccc2C2C=CCCC12
InChIInChI=1S/C13H15N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-3,5-7,10,12-13H,4,8,14H2
InChIKeyXAZYIQNZSQAPBU-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4a,9,9a-tetrahydro-1H-fluoren-9-ide;zirconium
CID 173268432
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CID 163795212
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CID 101408860
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1,1'-biphenyl;3-chlorocyclopentene
CID 162026727
1,4,4a,7,8,8a-hexahydronaphthalen-1-amine
CID 67951587
tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine
CID 139470328
3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine
CID 97303671
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
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CID 69401659

Frequently Asked Questions

What is the IUPAC name of 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine?
The IUPAC name of 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine (CID 19915411) is 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine.
What is the SMILES notation for 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine?
The canonical SMILES for 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine is NC1c2ccccc2C2C=CCCC12.
What is the InChIKey of 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine?
The InChIKey is XAZYIQNZSQAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-3,5-7,10,12-13H,4,8,14H2.
What are the key properties of 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine?
2,4a,9,9a-tetrahydro-1H-fluoren-9-amine has a molecular weight of 185.27 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,9,9a-tetrahydro-1H-fluoren-9-amine is sourced from PubChem (CID 19915411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).