N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine

C10H20BrN — CID 64995969

IUPACN-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
SMILESCCCN(CC(C)CBr)C1CC1
InChIInChI=1S/C10H20BrN/c1-3-6-12(10-4-5-10)8-9(2)7-11/h9-10H,3-8H2,1-2H3
InChIKeyNWVWYHIWSSOGHT-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds6

About N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine

N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine (PubChem CID 64995969) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
PubChem CID64995969
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC NameN-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
SMILESCCCN(CC(C)CBr)C1CC1
InChIInChI=1S/C10H20BrN/c1-3-6-12(10-4-5-10)8-9(2)7-11/h9-10H,3-8H2,1-2H3
InChIKeyNWVWYHIWSSOGHT-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
CID 64996287
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109
N',1-dicyclopropyl-N'-propylethane-1,2-diamine
CID 63912333
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
N,N-dipropylcyclodecanamine
CID 139723962
N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine
CID 65015584
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
N-(5-methylhexyl)-N-propylcyclohexanamine
CID 167070487
2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol
CID 65011905

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine?
The IUPAC name of N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine (CID 64995969) is N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine is CCCN(CC(C)CBr)C1CC1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine?
The InChIKey is NWVWYHIWSSOGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-3-6-12(10-4-5-10)8-9(2)7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine?
N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine is sourced from PubChem (CID 64995969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).