4-bromooctan-4-amine

C8H18BrN — CID 141227061

IUPAC4-bromooctan-4-amine
SMILESCCCCC(N)(Br)CCC
InChIInChI=1S/C8H18BrN/c1-3-5-7-8(9,10)6-4-2/h3-7,10H2,1-2H3
InChIKeyTVDKOVLOOUMGPS-UHFFFAOYSA-N
MW208.14 g/mol
LogP3.03
Rot. Bonds5

About 4-bromooctan-4-amine

4-bromooctan-4-amine (PubChem CID 141227061) has the molecular formula C8H18BrN and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-bromooctan-4-amine.

Molecular Properties

Compound Name4-bromooctan-4-amine
PubChem CID141227061
Molecular FormulaC8H18BrN
Molecular Weight208.14 g/mol
Exact Mass207.06
IUPAC Name4-bromooctan-4-amine
SMILESCCCCC(N)(Br)CCC
InChIInChI=1S/C8H18BrN/c1-3-5-7-8(9,10)6-4-2/h3-7,10H2,1-2H3
InChIKeyTVDKOVLOOUMGPS-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-bromo-5-butylnonane
CID 23146783
silane;1,1,1-tribromopentane
CID 158012938
5-chlorononan-5-amine
CID 88596915
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
3-bromo-3-ethylheptane
CID 13112056
3-ethylheptan-3-amine
CID 12708037
1-chloropentane-1,1-diamine
CID 175198933
1,1-dibromopropan-1-amine
CID 130016828
5-butylhexadecan-5-amine
CID 22244897
5-ethylnonan-5-amine;hydrochloride
CID 174766496
tetracosane-4,4-diamine
CID 141059661
4-propylundecan-4-amine
CID 166728969

Frequently Asked Questions

What is the IUPAC name of 4-bromooctan-4-amine?
The IUPAC name of 4-bromooctan-4-amine (CID 141227061) is 4-bromooctan-4-amine.
What is the SMILES notation for 4-bromooctan-4-amine?
The canonical SMILES for 4-bromooctan-4-amine is CCCCC(N)(Br)CCC.
What is the InChIKey of 4-bromooctan-4-amine?
The InChIKey is TVDKOVLOOUMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrN/c1-3-5-7-8(9,10)6-4-2/h3-7,10H2,1-2H3.
What are the key properties of 4-bromooctan-4-amine?
4-bromooctan-4-amine has a molecular weight of 208.14 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromooctan-4-amine is sourced from PubChem (CID 141227061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).