3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine

C11H24BrN — CID 65000482

IUPAC3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
SMILESCCCCCN(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrN/c1-5-6-7-8-13(4)10-11(2,3)9-12/h5-10H2,1-4H3
InChIKeyNJYCIBAGCCGXTH-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.53
Rot. Bonds7

About 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine

3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine (PubChem CID 65000482) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
PubChem CID65000482
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC Name3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
SMILESCCCCCN(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrN/c1-5-6-7-8-13(4)10-11(2,3)9-12/h5-10H2,1-4H3
InChIKeyNJYCIBAGCCGXTH-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.53
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'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
3,3-dimethyl-4-[methyl(pentyl)amino]butanoic acid
CID 115220447
3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
CID 64999998
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-butyl-N-methylpentan-1-amine
CID 54060013
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine?
The IUPAC name of 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine (CID 65000482) is 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine.
What is the SMILES notation for 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine?
The canonical SMILES for 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine is CCCCCN(C)CC(C)(C)CBr.
What is the InChIKey of 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine?
The InChIKey is NJYCIBAGCCGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN/c1-5-6-7-8-13(4)10-11(2,3)9-12/h5-10H2,1-4H3.
What are the key properties of 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine?
3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine has a molecular weight of 250.22 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine is sourced from PubChem (CID 65000482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).