5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine

C13H28BrN — CID 89032081

IUPAC5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine
SMILESCCC(C)(Br)CC(C)(CC)NC(C)(C)C
InChIInChI=1S/C13H28BrN/c1-8-12(6,14)10-13(7,9-2)15-11(3,4)5/h15H,8-10H2,1-7H3
InChIKeyYHBPPSFLWWTQPN-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.50
Rot. Bonds5

About 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine

5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine (PubChem CID 89032081) has the molecular formula C13H28BrN and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine
PubChem CID89032081
Molecular FormulaC13H28BrN
Molecular Weight278.28 g/mol
Exact Mass277.14
IUPAC Name5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine
SMILESCCC(C)(Br)CC(C)(CC)NC(C)(C)C
InChIInChI=1S/C13H28BrN/c1-8-12(6,14)10-13(7,9-2)15-11(3,4)5/h15H,8-10H2,1-7H3
InChIKeyYHBPPSFLWWTQPN-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-3,5-dimethylheptane
CID 137445681
N-tert-butyl-3-methylhexan-3-amine
CID 123793327
3-bromo-3,5,5-trimethylheptane
CID 122683982
3-bromo-3-methylhexane
CID 19851237
N-tert-butyl-2-methylbutan-2-amine;ethane
CID 142129044
2-(tert-butylamino)-2-methylpropane-1,3-diol
CID 58959508
methyl 5-bromo-3,3,5-trimethylheptanoate
CID 89376029
3-bromo-3-methylpentane;dihydroxy(oxo)phosphanium
CID 159355693
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
N-tert-butyl-2-methylpropan-2-amine;propyl-λ2-stannane
CID 175479879
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine?
The IUPAC name of 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine (CID 89032081) is 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine.
What is the SMILES notation for 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine?
The canonical SMILES for 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine is CCC(C)(Br)CC(C)(CC)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine?
The InChIKey is YHBPPSFLWWTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN/c1-8-12(6,14)10-13(7,9-2)15-11(3,4)5/h15H,8-10H2,1-7H3.
What are the key properties of 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine?
5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine has a molecular weight of 278.28 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine is sourced from PubChem (CID 89032081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).