N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine

C11H22BrN — CID 65009568

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1(CBr)CCC1
InChIInChI=1S/C11H22BrN/c1-3-4-8-13(2)10-11(9-12)6-5-7-11/h3-10H2,1-2H3
InChIKeyVLYLLMFASKOVMN-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.28
Rot. Bonds6

About N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine (PubChem CID 65009568) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
PubChem CID65009568
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1(CBr)CCC1
InChIInChI=1S/C11H22BrN/c1-3-4-8-13(2)10-11(9-12)6-5-7-11/h3-10H2,1-2H3
InChIKeyVLYLLMFASKOVMN-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.28
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'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65002615
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
N'-[[1-(bromomethyl)cyclopropyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65013503
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65009854

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine (CID 65009568) is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine is CCCCN(C)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine?
The InChIKey is VLYLLMFASKOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-3-4-8-13(2)10-11(9-12)6-5-7-11/h3-10H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine has a molecular weight of 248.21 g/mol, XLogP of 3.28, 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-methylbutan-1-amine is sourced from PubChem (CID 65009568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).