N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine

C32H31N — CID 122543080

IUPACN,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine
SMILESCCN(CC)C(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C32H31N/c1-5-33(6-2)31(3,4)28-20-13-21-29-30(28)24-16-9-12-19-27(24)32(29)25-17-10-7-14-22(25)23-15-8-11-18-26(23)32/h7-21H,5-6H2,1-4H3
InChIKeyCQQZQHRJBASGRX-UHFFFAOYSA-N
MW429.61 g/mol
LogP7.61
Rot. Bonds4

About N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine

N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine (PubChem CID 122543080) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine
PubChem CID122543080
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC NameN,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine
SMILESCCN(CC)C(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C32H31N/c1-5-33(6-2)31(3,4)28-20-13-21-29-30(28)24-16-9-12-19-27(24)32(29)25-17-10-7-14-22(25)23-15-8-11-18-26(23)32/h7-21H,5-6H2,1-4H3
InChIKeyCQQZQHRJBASGRX-UHFFFAOYSA-N
XLogP7.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
N,N-bis(4-tert-butylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine
CID 121391781
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]
CID 143306928
CID 102532137
CID 102532137
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene
CID 160527597
N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
CID 161344011
CID 174069072
CID 174069072
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]
CID 167086192

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine?
The IUPAC name of N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine (CID 122543080) is N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine.
What is the SMILES notation for N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine?
The canonical SMILES for N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine is CCN(CC)C(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine?
The InChIKey is CQQZQHRJBASGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N/c1-5-33(6-2)31(3,4)28-20-13-21-29-30(28)24-16-9-12-19-27(24)32(29)25-17-10-7-14-22(25)23-15-8-11-18-26(23)32/h7-21H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine?
N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine has a molecular weight of 429.61 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine is sourced from PubChem (CID 122543080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).