3-bromooctadecane;methanamine

C19H42BrN — CID 172853004

IUPAC3-bromooctadecane;methanamine
SMILESCCCCCCCCCCCCCCCC(Br)CC.CN
InChIInChI=1S/C18H37Br.CH5N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2;1-2/h18H,3-17H2,1-2H3;2H2,1H3
InChIKeyYHXZGKIPCMVATO-UHFFFAOYSA-N
MW364.46 g/mol
LogP7.22
Rot. Bonds15

About 3-bromooctadecane;methanamine

3-bromooctadecane;methanamine (PubChem CID 172853004) has the molecular formula C19H42BrN and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-bromooctadecane;methanamine.

Molecular Properties

Compound Name3-bromooctadecane;methanamine
PubChem CID172853004
Molecular FormulaC19H42BrN
Molecular Weight364.46 g/mol
Exact Mass363.25
IUPAC Name3-bromooctadecane;methanamine
SMILESCCCCCCCCCCCCCCCC(Br)CC.CN
InChIInChI=1S/C18H37Br.CH5N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2;1-2/h18H,3-17H2,1-2H3;2H2,1H3
InChIKeyYHXZGKIPCMVATO-UHFFFAOYSA-N
XLogP7.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2-bromo-1-fluorododecane
CID 12938124
1,3-dibromododecane
CID 122583611
1,3-dibromoundecane
CID 122583600
1,6-dibromododecane
CID 18940788
1,3-dibromopentadecane
CID 122583568
1-bromooctan-1-amine
CID 87659812
2-bromo-1-fluoroheptane
CID 14433707
3-bromoundecan-1-ol
CID 162349376
1,1,3-tribromooctane
CID 10861079
1,4-dibromononane
CID 123668754

Frequently Asked Questions

What is the IUPAC name of 3-bromooctadecane;methanamine?
The IUPAC name of 3-bromooctadecane;methanamine (CID 172853004) is 3-bromooctadecane;methanamine.
What is the SMILES notation for 3-bromooctadecane;methanamine?
The canonical SMILES for 3-bromooctadecane;methanamine is CCCCCCCCCCCCCCCC(Br)CC.CN.
What is the InChIKey of 3-bromooctadecane;methanamine?
The InChIKey is YHXZGKIPCMVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Br.CH5N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2;1-2/h18H,3-17H2,1-2H3;2H2,1H3.
What are the key properties of 3-bromooctadecane;methanamine?
3-bromooctadecane;methanamine has a molecular weight of 364.46 g/mol, XLogP of 7.22, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromooctadecane;methanamine is sourced from PubChem (CID 172853004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).