1-bromopropan-1-amine;dodecan-1-amine

C15H35BrN2 — CID 90285524

IUPAC1-bromopropan-1-amine;dodecan-1-amine
SMILESCCC(N)Br.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.C3H8BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3(4)5/h2-13H2,1H3;3H,2,5H2,1H3
InChIKeyOPKPVYSWIAFMQL-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.94
Rot. Bonds11

About 1-bromopropan-1-amine;dodecan-1-amine

1-bromopropan-1-amine;dodecan-1-amine (PubChem CID 90285524) has the molecular formula C15H35BrN2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-bromopropan-1-amine;dodecan-1-amine.

Molecular Properties

Compound Name1-bromopropan-1-amine;dodecan-1-amine
PubChem CID90285524
Molecular FormulaC15H35BrN2
Molecular Weight323.36 g/mol
Exact Mass322.20
IUPAC Name1-bromopropan-1-amine;dodecan-1-amine
SMILESCCC(N)Br.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.C3H8BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3(4)5/h2-13H2,1H3;3H,2,5H2,1H3
InChIKeyOPKPVYSWIAFMQL-UHFFFAOYSA-N
XLogP4.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-1-amine;dodecan-1-amine?
The IUPAC name of 1-bromopropan-1-amine;dodecan-1-amine (CID 90285524) is 1-bromopropan-1-amine;dodecan-1-amine.
What is the SMILES notation for 1-bromopropan-1-amine;dodecan-1-amine?
The canonical SMILES for 1-bromopropan-1-amine;dodecan-1-amine is CCC(N)Br.CCCCCCCCCCCCN.
What is the InChIKey of 1-bromopropan-1-amine;dodecan-1-amine?
The InChIKey is OPKPVYSWIAFMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C3H8BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3(4)5/h2-13H2,1H3;3H,2,5H2,1H3.
What are the key properties of 1-bromopropan-1-amine;dodecan-1-amine?
1-bromopropan-1-amine;dodecan-1-amine has a molecular weight of 323.36 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-1-amine;dodecan-1-amine is sourced from PubChem (CID 90285524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).