6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine

C27H41N — CID 139470306

IUPAC6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine
SMILESCC1C=CC2C(C1)C1=C(CCCC1)C21C2CC(C)CCC2C2CCC(N)CC21
InChIInChI=1S/C27H41N/c1-16-8-12-24-22(13-16)19-5-3-4-6-23(19)27(24)25-14-17(2)7-10-20(25)21-11-9-18(28)15-26(21)27/h8,12,16-18,20-22,24-26H,3-7,9-11,13-15,28H2,1-2H3
InChIKeyVHLUIHRONXAHAH-UHFFFAOYSA-N
MW379.63 g/mol
LogP6.49
Rot. Bonds

About 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine

6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine (PubChem CID 139470306) has the molecular formula C27H41N and a molecular weight of 379.63 g/mol. Its IUPAC name is 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine.

Molecular Properties

Compound Name6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine
PubChem CID139470306
Molecular FormulaC27H41N
Molecular Weight379.63 g/mol
Exact Mass379.32
IUPAC Name6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine
SMILESCC1C=CC2C(C1)C1=C(CCCC1)C21C2CC(C)CCC2C2CCC(N)CC21
InChIInChI=1S/C27H41N/c1-16-8-12-24-22(13-16)19-5-3-4-6-23(19)27(24)25-14-17(2)7-10-20(25)21-11-9-18(28)15-26(21)27/h8,12,16-18,20-22,24-26H,3-7,9-11,13-15,28H2,1-2H3
InChIKeyVHLUIHRONXAHAH-UHFFFAOYSA-N
XLogP6.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine with MolForge

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Related Compounds

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CID 142551529
(3S)-3-methylcyclohexan-1-amine
CID 55284906
9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine
CID 135218312
(5S,8S,13R,14R)-16-methyl-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-5-ol
CID 154489096
(1S)-5-methylcyclohex-3-en-1-amine
CID 175324553
3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
CID 162801028
(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene
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ethane;4-methylcyclohexan-1-amine
CID 142937577
3-(2,5-dimethylpiperidin-1-yl)cyclobutan-1-amine
CID 80561901
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
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(3R)-1,3-dimethylcyclopentane
CID 13119651

Frequently Asked Questions

What is the IUPAC name of 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine?
The IUPAC name of 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine (CID 139470306) is 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine.
What is the SMILES notation for 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine?
The canonical SMILES for 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine is CC1C=CC2C(C1)C1=C(CCCC1)C21C2CC(C)CCC2C2CCC(N)CC21.
What is the InChIKey of 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine?
The InChIKey is VHLUIHRONXAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N/c1-16-8-12-24-22(13-16)19-5-3-4-6-23(19)27(24)25-14-17(2)7-10-20(25)21-11-9-18(28)15-26(21)27/h8,12,16-18,20-22,24-26H,3-7,9-11,13-15,28H2,1-2H3.
What are the key properties of 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine?
6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine has a molecular weight of 379.63 g/mol, XLogP of 6.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6',7-dimethylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4b,5,6,8a-octahydrofluorene]-2-amine is sourced from PubChem (CID 139470306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).