tetradecan-2-amine;hydrobromide

C14H32BrN — CID 175070931

IUPACtetradecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCC(C)N
InChIInChI=1S/C14H31N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;/h14H,3-13,15H2,1-2H3;1H
InChIKeyOIHGJIFYFARDJP-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.22
Rot. Bonds11

About tetradecan-2-amine;hydrobromide

tetradecan-2-amine;hydrobromide (PubChem CID 175070931) has the molecular formula C14H32BrN and a molecular weight of 294.32 g/mol. Its IUPAC name is tetradecan-2-amine;hydrobromide.

Molecular Properties

Compound Nametetradecan-2-amine;hydrobromide
PubChem CID175070931
Molecular FormulaC14H32BrN
Molecular Weight294.32 g/mol
Exact Mass293.17
IUPAC Nametetradecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCC(C)N
InChIInChI=1S/C14H31N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;/h14H,3-13,15H2,1-2H3;1H
InChIKeyOIHGJIFYFARDJP-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
dodecan-2-amine;hydrochloride
CID 86195878
nonadecane-2,14-diamine
CID 89095951
dodecan-1-amine;dodecan-2-amine
CID 88815564
6-methylnonadecan-2-amine
CID 54497673
docosane-2,21-diamine
CID 150079956
9-methoxypentadecan-2-amine
CID 89335213
carbamic acid;undecan-2-amine
CID 175209089
propanoic acid;tetradecan-2-amine
CID 173174901
11,11-difluorooctadecan-2-amine
CID 150665400

Frequently Asked Questions

What is the IUPAC name of tetradecan-2-amine;hydrobromide?
The IUPAC name of tetradecan-2-amine;hydrobromide (CID 175070931) is tetradecan-2-amine;hydrobromide.
What is the SMILES notation for tetradecan-2-amine;hydrobromide?
The canonical SMILES for tetradecan-2-amine;hydrobromide is Br.CCCCCCCCCCCCC(C)N.
What is the InChIKey of tetradecan-2-amine;hydrobromide?
The InChIKey is OIHGJIFYFARDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;/h14H,3-13,15H2,1-2H3;1H.
What are the key properties of tetradecan-2-amine;hydrobromide?
tetradecan-2-amine;hydrobromide has a molecular weight of 294.32 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-2-amine;hydrobromide is sourced from PubChem (CID 175070931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).