N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C13H27BrN2 — CID 65002615

IUPACN'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CC1(CBr)CCCC1
InChIInChI=1S/C13H27BrN2/c1-15(2)9-6-10-16(3)12-13(11-14)7-4-5-8-13/h4-12H2,1-3H3
InChIKeyUVWRKVRMLHFJEE-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.83
Rot. Bonds7

About N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 65002615) has the molecular formula C13H27BrN2 and a molecular weight of 291.28 g/mol. Its IUPAC name is N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID65002615
Molecular FormulaC13H27BrN2
Molecular Weight291.28 g/mol
Exact Mass290.14
IUPAC NameN'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CC1(CBr)CCCC1
InChIInChI=1S/C13H27BrN2/c1-15(2)9-6-10-16(3)12-13(11-14)7-4-5-8-13/h4-12H2,1-3H3
InChIKeyUVWRKVRMLHFJEE-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[[1-(bromomethyl)cyclopropyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65013503
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
CID 65009568
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-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-[[1-(bromomethyl)cycloheptyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 65009978
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 65002615) is N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CC1(CBr)CCCC1.
What is the InChIKey of N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is UVWRKVRMLHFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrN2/c1-15(2)9-6-10-16(3)12-13(11-14)7-4-5-8-13/h4-12H2,1-3H3.
What are the key properties of N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 291.28 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 65002615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).