N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine

C12H25BrN2 — CID 114526677

IUPACN'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(CCBr)C1CCCC1
InChIInChI=1S/C12H25BrN2/c1-14(2)9-5-10-15(11-8-13)12-6-3-4-7-12/h12H,3-11H2,1-2H3
InChIKeyFFECGQCAEQDQDM-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.58
Rot. Bonds7

About N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine

N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 114526677) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
PubChem CID114526677
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC NameN'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(CCBr)C1CCCC1
InChIInChI=1S/C12H25BrN2/c1-14(2)9-5-10-15(11-8-13)12-6-3-4-7-12/h12H,3-11H2,1-2H3
InChIKeyFFECGQCAEQDQDM-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.58
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'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
N'-cyclopropyl-N'-[3-(dimethylamino)propyl]propane-1,3-diamine
CID 114524959
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine (CID 114526677) is N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine is CN(C)CCCN(CCBr)C1CCCC1.
What is the InChIKey of N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is FFECGQCAEQDQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2/c1-14(2)9-5-10-15(11-8-13)12-6-3-4-7-12/h12H,3-11H2,1-2H3.
What are the key properties of N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine?
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 277.25 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114526677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).