(4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

C14H19N — CID 22841653

IUPAC(4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCC1CCC[C@@H]2Cc3ccccc3[C@]12N
InChIInChI=1S/C14H19N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10,12)15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3/t10?,12-,14+/m1/s1
InChIKeySEIXOAIDAGGEFF-VOHIISRTSA-N
MW201.31 g/mol
LogP2.83
Rot. Bonds

About (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

(4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (PubChem CID 22841653) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.

Molecular Properties

Compound Name(4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
PubChem CID22841653
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCC1CCC[C@@H]2Cc3ccccc3[C@]12N
InChIInChI=1S/C14H19N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10,12)15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3/t10?,12-,14+/m1/s1
InChIKeySEIXOAIDAGGEFF-VOHIISRTSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
CID 10375993
pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
CID 102574244
3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol
CID 121267977
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
CID 171404171
1,1,2,3-tetramethyl-3,4-dihydronaphthalen-2-amine
CID 18983557
1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-amine
CID 67760848
2-(1,2,3,4,9,9a-hexahydrofluoren-4a-yl)ethanamine
CID 57431239
(1R,2R)-2-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine
CID 140604706
(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552436
5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 64728874
4-[(3aR,8bS)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]butan-2-one
CID 102319492
2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074

Frequently Asked Questions

What is the IUPAC name of (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The IUPAC name of (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (CID 22841653) is (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.
What is the SMILES notation for (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The canonical SMILES for (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is CC1CCC[C@@H]2Cc3ccccc3[C@]12N.
What is the InChIKey of (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The InChIKey is SEIXOAIDAGGEFF-VOHIISRTSA-N. The full InChI is InChI=1S/C14H19N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10,12)15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3/t10?,12-,14+/m1/s1.
What are the key properties of (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
(4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine has a molecular weight of 201.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aR)-4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is sourced from PubChem (CID 22841653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).