2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C12H25BrN2 — CID 103190641

IUPAC2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1(CBr)CC1)C(C)CN(C)C
InChIInChI=1S/C12H25BrN2/c1-5-15(11(2)8-14(3)4)10-12(9-13)6-7-12/h11H,5-10H2,1-4H3
InChIKeyQITJRDWRQXORRX-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.43
Rot. Bonds7

About 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190641) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190641
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC Name2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1(CBr)CC1)C(C)CN(C)C
InChIInChI=1S/C12H25BrN2/c1-5-15(11(2)8-14(3)4)10-12(9-13)6-7-12/h11H,5-10H2,1-4H3
InChIKeyQITJRDWRQXORRX-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190641) is 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1(CBr)CC1)C(C)CN(C)C.
What is the InChIKey of 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QITJRDWRQXORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2/c1-5-15(11(2)8-14(3)4)10-12(9-13)6-7-12/h11H,5-10H2,1-4H3.
What are the key properties of 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 277.25 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).