N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine

C12H24BrN — CID 65000629

IUPACN-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine
SMILESCCCCN(CC(C)(C)CBr)C1CC1
InChIInChI=1S/C12H24BrN/c1-4-5-8-14(11-6-7-11)10-12(2,3)9-13/h11H,4-10H2,1-3H3
InChIKeyJCFRVJMPSGNBBK-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.67
Rot. Bonds7

About N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine

N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine (PubChem CID 65000629) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine
PubChem CID65000629
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine
SMILESCCCCN(CC(C)(C)CBr)C1CC1
InChIInChI=1S/C12H24BrN/c1-4-5-8-14(11-6-7-11)10-12(2,3)9-13/h11H,4-10H2,1-3H3
InChIKeyJCFRVJMPSGNBBK-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine (CID 65000629) is N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine is CCCCN(CC(C)(C)CBr)C1CC1.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine?
The InChIKey is JCFRVJMPSGNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-4-5-8-14(11-6-7-11)10-12(2,3)9-13/h11H,4-10H2,1-3H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine?
N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine has a molecular weight of 262.23 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-N-butylcyclopropanamine is sourced from PubChem (CID 65000629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).