N-(5-bromopentyl)-N-methylhexan-1-amine

C12H26BrN — CID 107204775

IUPACN-(5-bromopentyl)-N-methylhexan-1-amine
SMILESCCCCCCN(C)CCCCCBr
InChIInChI=1S/C12H26BrN/c1-3-4-5-8-11-14(2)12-9-6-7-10-13/h3-12H2,1-2H3
InChIKeyJCBLLYLXMDEEHN-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.06
Rot. Bonds10

About N-(5-bromopentyl)-N-methylhexan-1-amine

N-(5-bromopentyl)-N-methylhexan-1-amine (PubChem CID 107204775) has the molecular formula C12H26BrN and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methylhexan-1-amine.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methylhexan-1-amine
PubChem CID107204775
Molecular FormulaC12H26BrN
Molecular Weight264.25 g/mol
Exact Mass263.12
IUPAC NameN-(5-bromopentyl)-N-methylhexan-1-amine
SMILESCCCCCCN(C)CCCCCBr
InChIInChI=1S/C12H26BrN/c1-3-4-5-8-11-14(2)12-9-6-7-10-13/h3-12H2,1-2H3
InChIKeyJCBLLYLXMDEEHN-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.06
H-Bond Donors ≤ 50
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

N-(2-bromoethyl)-N-methylnonan-1-amine
CID 80673731
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methylhexan-1-amine?
The IUPAC name of N-(5-bromopentyl)-N-methylhexan-1-amine (CID 107204775) is N-(5-bromopentyl)-N-methylhexan-1-amine.
What is the SMILES notation for N-(5-bromopentyl)-N-methylhexan-1-amine?
The canonical SMILES for N-(5-bromopentyl)-N-methylhexan-1-amine is CCCCCCN(C)CCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-N-methylhexan-1-amine?
The InChIKey is JCBLLYLXMDEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrN/c1-3-4-5-8-11-14(2)12-9-6-7-10-13/h3-12H2,1-2H3.
What are the key properties of N-(5-bromopentyl)-N-methylhexan-1-amine?
N-(5-bromopentyl)-N-methylhexan-1-amine has a molecular weight of 264.25 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methylhexan-1-amine is sourced from PubChem (CID 107204775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).