1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine

C17H25N — CID 67934797

IUPAC1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
SMILESCC(C)(C)C1CCCC2c3ccccc3C(N)C21
InChIInChI=1S/C17H25N/c1-17(2,3)14-10-6-9-12-11-7-4-5-8-13(11)16(18)15(12)14/h4-5,7-8,12,14-16H,6,9-10,18H2,1-3H3
InChIKeyJVAVDRHUBBCHEK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.25
Rot. Bonds

About 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine

1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine (PubChem CID 67934797) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine.

Molecular Properties

Compound Name1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
PubChem CID67934797
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
SMILESCC(C)(C)C1CCCC2c3ccccc3C(N)C21
InChIInChI=1S/C17H25N/c1-17(2,3)14-10-6-9-12-11-7-4-5-8-13(11)16(18)15(12)14/h4-5,7-8,12,14-16H,6,9-10,18H2,1-3H3
InChIKeyJVAVDRHUBBCHEK-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126
1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene
CID 168760678
(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol
CID 54340891
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
2-(2-cyclobutylphenyl)cyclobutan-1-amine
CID 114607226
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine
CID 130765038
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662
6-tert-butyl-4,5,6-triazatetracyclo[9.6.0.03,7.012,17]heptadeca-3(7),4,12,14,16-pentaene
CID 171447574
tert-butyl (3aR,4R,8bR)-4-amino-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxylate
CID 71305255
(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
CID 5275734

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
The IUPAC name of 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine (CID 67934797) is 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine.
What is the SMILES notation for 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
The canonical SMILES for 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine is CC(C)(C)C1CCCC2c3ccccc3C(N)C21.
What is the InChIKey of 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
The InChIKey is JVAVDRHUBBCHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-17(2,3)14-10-6-9-12-11-7-4-5-8-13(11)16(18)15(12)14/h4-5,7-8,12,14-16H,6,9-10,18H2,1-3H3.
What are the key properties of 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine has a molecular weight of 243.39 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine is sourced from PubChem (CID 67934797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).