1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H29BrN2 — CID 105416259

IUPAC1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCCC(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29BrN2/c1-5-7-13(10-15)11-17(4)12-14(16(2)3)8-6-9-14/h13H,5-12H2,1-4H3
InChIKeyQCLGZTPVDYTXFL-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.21
Rot. Bonds8

About 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416259) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416259
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC Name1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCCC(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29BrN2/c1-5-7-13(10-15)11-17(4)12-14(16(2)3)8-6-9-14/h13H,5-12H2,1-4H3
InChIKeyQCLGZTPVDYTXFL-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416259) is 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CCCC(CBr)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is QCLGZTPVDYTXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-5-7-13(10-15)11-17(4)12-14(16(2)3)8-6-9-14/h13H,5-12H2,1-4H3.
What are the key properties of 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 305.30 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).