N-(tribromomethyl)hexadecan-1-amine

C17H34Br3N — CID 175543553

IUPACN-(tribromomethyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC(Br)(Br)Br
InChIInChI=1S/C17H34Br3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h21H,2-16H2,1H3
InChIKeyUICQVQHLIVVROP-UHFFFAOYSA-N
MW492.18 g/mol
LogP7.85
Rot. Bonds15

About N-(tribromomethyl)hexadecan-1-amine

N-(tribromomethyl)hexadecan-1-amine (PubChem CID 175543553) has the molecular formula C17H34Br3N and a molecular weight of 492.18 g/mol. Its IUPAC name is N-(tribromomethyl)hexadecan-1-amine.

Molecular Properties

Compound NameN-(tribromomethyl)hexadecan-1-amine
PubChem CID175543553
Molecular FormulaC17H34Br3N
Molecular Weight492.18 g/mol
Exact Mass489.02
IUPAC NameN-(tribromomethyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC(Br)(Br)Br
InChIInChI=1S/C17H34Br3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h21H,2-16H2,1H3
InChIKeyUICQVQHLIVVROP-UHFFFAOYSA-N
XLogP7.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.18
LogP ≤ 57.85
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylnonadecan-1-amine
CID 87846739
4-N-decyl-3,4-diethylhexane-3,4-diamine
CID 150923336
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
(hexadecylamino)-(hexylamino)methanedithiol
CID 176812583
1,1-bis(octylamino)ethanol
CID 87347011
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605

Frequently Asked Questions

What is the IUPAC name of N-(tribromomethyl)hexadecan-1-amine?
The IUPAC name of N-(tribromomethyl)hexadecan-1-amine (CID 175543553) is N-(tribromomethyl)hexadecan-1-amine.
What is the SMILES notation for N-(tribromomethyl)hexadecan-1-amine?
The canonical SMILES for N-(tribromomethyl)hexadecan-1-amine is CCCCCCCCCCCCCCCCNC(Br)(Br)Br.
What is the InChIKey of N-(tribromomethyl)hexadecan-1-amine?
The InChIKey is UICQVQHLIVVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34Br3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h21H,2-16H2,1H3.
What are the key properties of N-(tribromomethyl)hexadecan-1-amine?
N-(tribromomethyl)hexadecan-1-amine has a molecular weight of 492.18 g/mol, XLogP of 7.85, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tribromomethyl)hexadecan-1-amine is sourced from PubChem (CID 175543553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).