9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine

C18H33N — CID 123742804

IUPAC9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine
SMILESCCCCC1(N)C2CCCCC2C2CC(C)CCC21
InChIInChI=1S/C18H33N/c1-3-4-11-18(19)16-8-6-5-7-14(16)15-12-13(2)9-10-17(15)18/h13-17H,3-12,19H2,1-2H3
InChIKeyFZFTWYCKVFKQEV-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.75
Rot. Bonds3

About 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine

9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine (PubChem CID 123742804) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine.

Molecular Properties

Compound Name9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine
PubChem CID123742804
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine
SMILESCCCCC1(N)C2CCCCC2C2CC(C)CCC21
InChIInChI=1S/C18H33N/c1-3-4-11-18(19)16-8-6-5-7-14(16)15-12-13(2)9-10-17(15)18/h13-17H,3-12,19H2,1-2H3
InChIKeyFZFTWYCKVFKQEV-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine?
The IUPAC name of 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine (CID 123742804) is 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine.
What is the SMILES notation for 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine?
The canonical SMILES for 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine is CCCCC1(N)C2CCCCC2C2CC(C)CCC21.
What is the InChIKey of 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine?
The InChIKey is FZFTWYCKVFKQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-3-4-11-18(19)16-8-6-5-7-14(16)15-12-13(2)9-10-17(15)18/h13-17H,3-12,19H2,1-2H3.
What are the key properties of 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine?
9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine has a molecular weight of 263.47 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine is sourced from PubChem (CID 123742804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).