4,5-dipropylpentadecan-4-amine;hydrobromide

C21H46BrN — CID 175052572

IUPAC4,5-dipropylpentadecan-4-amine;hydrobromide
SMILESBr.CCCCCCCCCCC(CCC)C(N)(CCC)CCC
InChIInChI=1S/C21H45N.BrH/c1-5-9-10-11-12-13-14-15-17-20(16-6-2)21(22,18-7-3)19-8-4;/h20H,5-19,22H2,1-4H3;1H
InChIKeyYWBMCYREFAPVLS-UHFFFAOYSA-N
MW392.51 g/mol
LogP7.81
Rot. Bonds16

About 4,5-dipropylpentadecan-4-amine;hydrobromide

4,5-dipropylpentadecan-4-amine;hydrobromide (PubChem CID 175052572) has the molecular formula C21H46BrN and a molecular weight of 392.51 g/mol. Its IUPAC name is 4,5-dipropylpentadecan-4-amine;hydrobromide.

Molecular Properties

Compound Name4,5-dipropylpentadecan-4-amine;hydrobromide
PubChem CID175052572
Molecular FormulaC21H46BrN
Molecular Weight392.51 g/mol
Exact Mass391.28
IUPAC Name4,5-dipropylpentadecan-4-amine;hydrobromide
SMILESBr.CCCCCCCCCCC(CCC)C(N)(CCC)CCC
InChIInChI=1S/C21H45N.BrH/c1-5-9-10-11-12-13-14-15-17-20(16-6-2)21(22,18-7-3)19-8-4;/h20H,5-19,22H2,1-4H3;1H
InChIKeyYWBMCYREFAPVLS-UHFFFAOYSA-N
XLogP7.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 57.81
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

5-butyl-6-propylheptadecan-5-amine
CID 22597070
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride
CID 173480260
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropylpentadecan-4-amine;hydrobromide?
The IUPAC name of 4,5-dipropylpentadecan-4-amine;hydrobromide (CID 175052572) is 4,5-dipropylpentadecan-4-amine;hydrobromide.
What is the SMILES notation for 4,5-dipropylpentadecan-4-amine;hydrobromide?
The canonical SMILES for 4,5-dipropylpentadecan-4-amine;hydrobromide is Br.CCCCCCCCCCC(CCC)C(N)(CCC)CCC.
What is the InChIKey of 4,5-dipropylpentadecan-4-amine;hydrobromide?
The InChIKey is YWBMCYREFAPVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N.BrH/c1-5-9-10-11-12-13-14-15-17-20(16-6-2)21(22,18-7-3)19-8-4;/h20H,5-19,22H2,1-4H3;1H.
What are the key properties of 4,5-dipropylpentadecan-4-amine;hydrobromide?
4,5-dipropylpentadecan-4-amine;hydrobromide has a molecular weight of 392.51 g/mol, XLogP of 7.81, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropylpentadecan-4-amine;hydrobromide is sourced from PubChem (CID 175052572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).