bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine

C15H24BrNZn — CID 146001765

IUPACbromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
SMILESCCCCN(CCCC)Cc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C15H24N.BrH.Zn/c1-3-5-12-16(13-6-4-2)14-15-10-8-7-9-11-15;;/h7-10H,3-6,12-14H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyZIWKULRLXTZRAB-UHFFFAOYSA-M
MW363.66 g/mol
LogP4.73
Rot. Bonds8

About bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine

bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine (PubChem CID 146001765) has the molecular formula C15H24BrNZn and a molecular weight of 363.66 g/mol. Its IUPAC name is bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine.

Molecular Properties

Compound Namebromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
PubChem CID146001765
Molecular FormulaC15H24BrNZn
Molecular Weight363.66 g/mol
Exact Mass361.04
IUPAC Namebromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
SMILESCCCCN(CCCC)Cc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C15H24N.BrH.Zn/c1-3-5-12-16(13-6-4-2)14-15-10-8-7-9-11-15;;/h7-10H,3-6,12-14H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyZIWKULRLXTZRAB-UHFFFAOYSA-M
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.66
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine?
The IUPAC name of bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine (CID 146001765) is bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine.
What is the SMILES notation for bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine?
The canonical SMILES for bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine is CCCCN(CCCC)Cc1[c-]cccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine?
The InChIKey is ZIWKULRLXTZRAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N.BrH.Zn/c1-3-5-12-16(13-6-4-2)14-15-10-8-7-9-11-15;;/h7-10H,3-6,12-14H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine?
bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine has a molecular weight of 363.66 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine is sourced from PubChem (CID 146001765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).