N-bromopentadecan-1-amine

C15H32BrN — CID 174706274

IUPACN-bromopentadecan-1-amine
SMILESCCCCCCCCCCCCCCCNBr
InChIInChI=1S/C15H32BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16/h17H,2-15H2,1H3
InChIKeyPMVZEKKPOBFSCL-UHFFFAOYSA-N
MW306.33 g/mol
LogP5.98
Rot. Bonds14

About N-bromopentadecan-1-amine

N-bromopentadecan-1-amine (PubChem CID 174706274) has the molecular formula C15H32BrN and a molecular weight of 306.33 g/mol. Its IUPAC name is N-bromopentadecan-1-amine.

Molecular Properties

Compound NameN-bromopentadecan-1-amine
PubChem CID174706274
Molecular FormulaC15H32BrN
Molecular Weight306.33 g/mol
Exact Mass305.17
IUPAC NameN-bromopentadecan-1-amine
SMILESCCCCCCCCCCCCCCCNBr
InChIInChI=1S/C15H32BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16/h17H,2-15H2,1H3
InChIKeyPMVZEKKPOBFSCL-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174706275
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1,2-diheptylhydrazine
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CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
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Frequently Asked Questions

What is the IUPAC name of N-bromopentadecan-1-amine?
The IUPAC name of N-bromopentadecan-1-amine (CID 174706274) is N-bromopentadecan-1-amine.
What is the SMILES notation for N-bromopentadecan-1-amine?
The canonical SMILES for N-bromopentadecan-1-amine is CCCCCCCCCCCCCCCNBr.
What is the InChIKey of N-bromopentadecan-1-amine?
The InChIKey is PMVZEKKPOBFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16/h17H,2-15H2,1H3.
What are the key properties of N-bromopentadecan-1-amine?
N-bromopentadecan-1-amine has a molecular weight of 306.33 g/mol, XLogP of 5.98, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromopentadecan-1-amine is sourced from PubChem (CID 174706274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).