N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine

C12H24BrN — CID 65009362

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CBr)CCC1
InChIInChI=1S/C12H24BrN/c1-4-11(2)8-14(3)10-12(9-13)6-5-7-12/h11H,4-10H2,1-3H3
InChIKeyYFPNINYVCKVCAH-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.53
Rot. Bonds6

About N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine

N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 65009362) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID65009362
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CBr)CCC1
InChIInChI=1S/C12H24BrN/c1-4-11(2)8-14(3)10-12(9-13)6-5-7-12/h11H,4-10H2,1-3H3
InChIKeyYFPNINYVCKVCAH-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.53
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)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine (CID 65009362) is N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is YFPNINYVCKVCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-4-11(2)8-14(3)10-12(9-13)6-5-7-12/h11H,4-10H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 262.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 65009362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).