N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine

C10H18BrN — CID 65013492

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
SMILESCN(CC1CC1)CC1(CBr)CC1
InChIInChI=1S/C10H18BrN/c1-12(6-9-2-3-9)8-10(7-11)4-5-10/h9H,2-8H2,1H3
InChIKeyVRZALGXPUQHWMM-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.50
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine (PubChem CID 65013492) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
PubChem CID65013492
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
SMILESCN(CC1CC1)CC1(CBr)CC1
InChIInChI=1S/C10H18BrN/c1-12(6-9-2-3-9)8-10(7-11)4-5-10/h9H,2-8H2,1H3
InChIKeyVRZALGXPUQHWMM-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.50
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-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine (CID 65013492) is N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine is CN(CC1CC1)CC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine?
The InChIKey is VRZALGXPUQHWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c1-12(6-9-2-3-9)8-10(7-11)4-5-10/h9H,2-8H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine?
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine has a molecular weight of 232.16 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 65013492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).