7,8-dihexylheptadecan-7-amine;hydrobromide

C29H62BrN — CID 173157793

IUPAC7,8-dihexylheptadecan-7-amine;hydrobromide
SMILESBr.CCCCCCCCCC(CCCCCC)C(N)(CCCCCC)CCCCCC
InChIInChI=1S/C29H61N.BrH/c1-5-9-13-17-18-19-21-25-28(24-20-14-10-6-2)29(30,26-22-15-11-7-3)27-23-16-12-8-4;/h28H,5-27,30H2,1-4H3;1H
InChIKeyGKVCVBRXXGSNDM-UHFFFAOYSA-N
MW504.73 g/mol
LogP10.93
Rot. Bonds24

About 7,8-dihexylheptadecan-7-amine;hydrobromide

7,8-dihexylheptadecan-7-amine;hydrobromide (PubChem CID 173157793) has the molecular formula C29H62BrN and a molecular weight of 504.73 g/mol. Its IUPAC name is 7,8-dihexylheptadecan-7-amine;hydrobromide.

Molecular Properties

Compound Name7,8-dihexylheptadecan-7-amine;hydrobromide
PubChem CID173157793
Molecular FormulaC29H62BrN
Molecular Weight504.73 g/mol
Exact Mass503.41
IUPAC Name7,8-dihexylheptadecan-7-amine;hydrobromide
SMILESBr.CCCCCCCCCC(CCCCCC)C(N)(CCCCCC)CCCCCC
InChIInChI=1S/C29H61N.BrH/c1-5-9-13-17-18-19-21-25-28(24-20-14-10-6-2)29(30,26-22-15-11-7-3)27-23-16-12-8-4;/h28H,5-27,30H2,1-4H3;1H
InChIKeyGKVCVBRXXGSNDM-UHFFFAOYSA-N
XLogP10.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.73
LogP ≤ 510.93
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

8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5-butyl-6-propylheptadecan-5-amine
CID 22597070
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515

Frequently Asked Questions

What is the IUPAC name of 7,8-dihexylheptadecan-7-amine;hydrobromide?
The IUPAC name of 7,8-dihexylheptadecan-7-amine;hydrobromide (CID 173157793) is 7,8-dihexylheptadecan-7-amine;hydrobromide.
What is the SMILES notation for 7,8-dihexylheptadecan-7-amine;hydrobromide?
The canonical SMILES for 7,8-dihexylheptadecan-7-amine;hydrobromide is Br.CCCCCCCCCC(CCCCCC)C(N)(CCCCCC)CCCCCC.
What is the InChIKey of 7,8-dihexylheptadecan-7-amine;hydrobromide?
The InChIKey is GKVCVBRXXGSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N.BrH/c1-5-9-13-17-18-19-21-25-28(24-20-14-10-6-2)29(30,26-22-15-11-7-3)27-23-16-12-8-4;/h28H,5-27,30H2,1-4H3;1H.
What are the key properties of 7,8-dihexylheptadecan-7-amine;hydrobromide?
7,8-dihexylheptadecan-7-amine;hydrobromide has a molecular weight of 504.73 g/mol, XLogP of 10.93, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihexylheptadecan-7-amine;hydrobromide is sourced from PubChem (CID 173157793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).