N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine

C16H21Br2N — CID 107597638

IUPACN-(2,6-dibromophenyl)spiro[4.5]decan-8-amine
SMILESBrc1cccc(Br)c1NC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H21Br2N/c17-13-4-3-5-14(18)15(13)19-12-6-10-16(11-7-12)8-1-2-9-16/h3-5,12,19H,1-2,6-11H2
InChIKeyHBDKJOMMFYHWPX-UHFFFAOYSA-N
MW387.16 g/mol
LogP6.13
Rot. Bonds2

About N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine

N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine (PubChem CID 107597638) has the molecular formula C16H21Br2N and a molecular weight of 387.16 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)spiro[4.5]decan-8-amine
PubChem CID107597638
Molecular FormulaC16H21Br2N
Molecular Weight387.16 g/mol
Exact Mass385.00
IUPAC NameN-(2,6-dibromophenyl)spiro[4.5]decan-8-amine
SMILESBrc1cccc(Br)c1NC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H21Br2N/c17-13-4-3-5-14(18)15(13)19-12-6-10-16(11-7-12)8-1-2-9-16/h3-5,12,19H,1-2,6-11H2
InChIKeyHBDKJOMMFYHWPX-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.16
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine
CID 114817235
N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 107597744
N-(3-iodophenyl)spiro[4.5]decan-8-amine
CID 114817215
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
CID 114817465
N-(3-chloro-2-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817211
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-2-amine
CID 107597685
4-(spiro[4.5]decan-8-ylamino)phenol
CID 114817410
2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
CID 107597939
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597579
2-bromo-N-(3,3-dimethylcyclohexyl)-6-fluoroaniline
CID 107598041
5-bromo-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817827
N-(4-methoxyphenyl)spiro[4.5]decan-8-amine
CID 114817121

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine (CID 107597638) is N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine is Brc1cccc(Br)c1NC1CCC2(CCCC2)CC1.
What is the InChIKey of N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine?
The InChIKey is HBDKJOMMFYHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2N/c17-13-4-3-5-14(18)15(13)19-12-6-10-16(11-7-12)8-1-2-9-16/h3-5,12,19H,1-2,6-11H2.
What are the key properties of N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine?
N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine has a molecular weight of 387.16 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 107597638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).